data_2lm9_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 2lm9 _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 ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -69.48 -38.18 77.58 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.45 -39.67 94.14 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -62.6 -45.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.038 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CE1' HG13 ' A' ' 64' ' ' ILE . 19.4 m-85 -99.41 10.73 40.85 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.858 -1.137 . . . . 0.0 113.505 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 85.1 t60 -69.23 -18.99 63.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.126 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.69 -45.13 87.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.794 0.807 . . . . 0.0 109.238 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.09 -33.49 35.75 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.76 -36.2 76.16 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.574 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 29.7 mtpp -64.29 -44.52 91.41 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.95 -40.88 86.02 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.611 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.07 -47.91 81.73 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.483 0.182 . . . . 0.0 111.212 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -69.61 -37.22 76.79 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.748 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 58.3 t60 -65.17 -48.19 74.35 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.348 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 38' ' ' VAL . 67.7 mt -67.2 -40.7 85.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 122.693 0.397 . . . . 0.0 111.701 -175.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -62.25 -43.85 97.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -60.26 -45.71 92.36 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.35 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 30.4 mm-40 -62.08 -32.9 73.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.766 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 89.4 t -63.06 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.35 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.75 -44.0 97.76 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.31 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 44' ' ' THR . 25.1 t70 -60.61 -47.95 83.96 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.927 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.3 -34.65 76.53 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.695 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 52.8 mt-10 -61.81 -30.04 70.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -13.52 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 118.956 -1.098 . . . . 0.0 111.649 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 21.9 m -94.17 -41.62 9.4 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.529 -176.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.13 -68.4 0.02 OUTLIER Glycine 0 C--N 1.314 -0.651 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.237 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 t30 75.73 13.24 2.9 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.633 1.173 . . . . 0.0 109.363 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.93 -50.32 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.039 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -146.74 -18.26 0.42 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.784 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.62 -35.49 76.29 Favored 'General case' 0 C--O 1.195 -1.771 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.832 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.9 tptt -58.56 -51.02 71.66 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 123.8 0.687 . . . . 0.0 110.33 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -43.64 84.39 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.44 ' HD3' ' C ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -61.0 -44.89 96.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.505 178.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.88 -37.39 87.2 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-O 121.188 0.518 . . . . 0.0 111.518 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 73.9 mt -64.58 -33.14 75.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.52 0.676 . . . . 0.0 110.819 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.7 mmt180 -69.71 -29.81 67.3 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.471 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.55 -35.87 78.01 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.7 pp -70.26 -30.59 67.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.271 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 51.3 m -62.68 -40.67 97.84 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.209 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.8 t -66.39 -40.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.781 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 27.1 m -59.31 -48.81 80.24 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.895 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' HG23 ' A' ' 64' ' ' ILE . 8.4 pt-20 -64.27 -30.41 71.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.705 177.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.76 87.42 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.781 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.262 10.0 p90 -76.57 -34.8 58.45 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.265 -1.374 . . . . 0.0 111.736 -178.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 60' ' ' SER . 12.2 tt -68.24 -36.44 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 119.186 -1.006 . . . . 0.0 111.405 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.48 -37.93 89.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.75 -42.8 98.47 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -68.4 -31.16 70.32 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 122.257 -0.555 . . . . 0.0 110.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -40.54 89.72 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 121.093 0.473 . . . . 0.0 109.787 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.547 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -62.81 -27.7 70.53 Favored Glycine 0 N--CA 1.424 -2.156 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.892 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -71.03 -41.88 70.26 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -65.09 -39.72 93.58 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.346 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.12 -35.78 74.05 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.502 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.88 -43.73 71.22 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 77' ' ' ARG . 25.6 mt-10 -63.95 -29.39 70.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 0.0 112.296 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.4 tt -60.25 -25.21 65.49 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.082 0.953 . . . . 0.0 109.655 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -102.38 -6.79 22.62 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 75.6 ttt180 -66.04 -22.9 66.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.611 0.765 . . . . 0.0 113.056 -171.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m 73.35 -32.68 0.25 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.668 0.787 . . . . 0.0 110.564 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 77' ' ' ARG . 27.4 t70 -83.29 67.86 9.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.546 1.165 . . . . 0.0 109.446 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -155.07 153.23 30.58 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.97 173.04 6.52 Favored 'General case' 1 C--N 1.24 -4.155 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.42 -30.03 59.69 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.291 0.496 . . . . 0.0 109.875 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.69 -49.98 74.72 Favored 'General case' 0 CA--C 1.512 -0.515 0 C-N-CA 124.303 1.041 . . . . 0.0 109.833 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 42.2 mt-10 -71.79 -37.13 70.47 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.269 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -59.37 -39.76 84.31 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.044 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.12 -32.51 74.24 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.363 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -36.81 69.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.601 0.761 . . . . 0.0 109.883 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.2 m-85 -71.11 -45.87 62.82 Favored 'General case' 0 CA--C 1.466 -2.256 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.14 -33.3 75.47 Favored 'General case' 0 N--CA 1.423 -1.817 0 O-C-N 123.751 0.657 . . . . 0.0 110.264 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.68 -44.8 63.6 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.127 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.11 74.08 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.206 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -61.95 -38.96 90.46 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.51 71.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.233 0.333 . . . . 0.0 110.666 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.49 -46.53 69.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.22 0.534 . . . . 0.0 110.069 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.62 89.46 Favored Glycine 0 N--CA 1.416 -2.639 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.631 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.5 ' CG ' ' HZ2' ' A' ' 100' ' ' LYS . 28.0 t70 -63.26 -46.19 87.97 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.681 0.24 . . . . 0.0 111.179 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.93 -45.74 87.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.02 -28.23 64.25 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.893 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.88 -36.97 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HZ2' ' CG ' ' A' ' 96' ' ' ASP . 47.2 mttp -65.94 -33.42 75.79 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.069 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.42 -38.96 68.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.004 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.3 mt -54.81 -49.94 69.75 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 123.771 0.828 . . . . 0.0 110.146 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.25 -35.95 78.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.21 76.24 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -34.53 72.09 Favored 'General case' 0 N--CA 1.428 -1.534 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.25 -46.83 87.46 Favored 'General case' 0 C--O 1.184 -2.358 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 176.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -67.99 -48.04 66.88 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 54' ' ' LEU . 60.5 t -67.35 -39.75 83.38 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-O 121.184 0.516 . . . . 0.0 110.304 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.28 -33.3 72.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.455 1.502 . . . . 0.0 108.861 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.14 -32.77 59.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.785 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.301 -1.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.062 177.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -62.73 -43.65 98.25 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 122.943 0.497 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.97 -35.94 82.8 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.462 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -70.54 -27.97 64.56 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.059 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE1' ' HE2' ' A' ' 71' ' ' PHE . 4.8 m-30 -90.24 -11.51 40.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.461 0.648 . . . . 0.0 110.966 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -71.15 -16.05 62.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.5 -42.78 98.5 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.358 173.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.25 -34.05 36.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.239 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.14 -45.62 90.48 Favored 'General case' 0 C--O 1.25 1.124 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.289 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 32' ' ' LEU 0.283 22.3 pttp -66.73 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.223 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' O ' HG13 ' A' ' 34' ' ' ILE . 14.4 m-85 -58.31 -45.33 88.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.728 0.299 . . . . 0.0 110.634 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.47 -44.76 92.94 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.345 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.5 pp -69.68 -35.26 74.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.553 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -59.27 -41.81 89.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.741 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.3 mt -65.76 -46.72 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.171 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.1 m -61.23 -41.0 96.11 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.83 -46.5 89.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.827 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -31.89 73.08 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.604 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.2 t -59.04 -44.96 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.585 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 19.9 t70 -67.88 -43.99 78.07 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 118.509 -1.276 . . . . 0.0 110.443 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.08 -45.4 93.04 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.621 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.5 pp -65.66 -35.54 81.09 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -176.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.3 mm-40 -63.16 -28.95 70.41 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.892 0.377 . . . . 0.0 110.47 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 28.5 mmtp -92.27 -29.46 16.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.277 1.037 . . . . 0.0 110.15 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 m -86.57 -0.56 56.39 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 113.679 -1.601 . . . . 0.0 111.317 -176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.64 -39.2 2.63 Favored Glycine 0 C--N 1.312 -0.753 0 C-N-CA 118.608 -1.758 . . . . 0.0 114.689 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' OD1' ' HE2' ' A' ' 50' ' ' LYS . 35.1 t30 67.65 40.62 2.46 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 122.443 1.116 . . . . 0.0 109.794 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.22 -48.61 67.33 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.309 -0.869 . . . . 0.0 112.566 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -155.7 -3.68 0.13 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.069 0.462 . . . . 0.0 110.875 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.15 -37.21 84.33 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.876 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.8 ttpt -62.05 -49.86 74.28 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 121.467 0.651 . . . . 0.0 111.399 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -58.66 -44.76 90.23 Favored 'General case' 0 C--N 1.274 -2.694 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.48 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 mtm105 -66.66 -40.5 88.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.018 0.437 . . . . 0.0 111.885 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 34' ' ' ILE . 46.2 tp -62.22 -36.65 82.6 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 121.53 0.681 . . . . 0.0 111.408 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.7 mt -63.79 -33.64 76.13 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.29 0.567 . . . . 0.0 109.659 174.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 30.3 mmt180 -68.92 -27.92 66.2 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 40.5 tt0 -65.76 -40.35 91.98 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.693 176.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.4 pp -72.65 -31.72 65.32 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.105 177.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.7 m -62.19 -46.97 86.57 Favored 'General case' 0 C--O 1.253 1.261 0 CA-C-O 122.069 0.938 . . . . 0.0 110.168 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 63' ' ' PHE . 10.5 p -65.66 -37.09 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.402 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.787 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 50.5 m -59.25 -29.91 67.89 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 121.528 0.68 . . . . 0.0 112.018 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 52.7 mt-10 -69.48 -39.43 77.69 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.07 75.11 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.218 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.787 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 2.6 m-85 -67.74 -44.03 78.53 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 19.0 mm -58.8 -49.57 82.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 O-C-N 123.355 0.409 . . . . 0.0 111.253 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.7 -34.56 78.6 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.044 0.45 . . . . 0.0 111.848 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.03 -41.28 48.74 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.237 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.1 p -71.79 -31.58 66.75 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 122.572 -0.37 . . . . 0.0 110.467 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 66.9 mtp180 -64.22 -44.25 92.48 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.916 174.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.656 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.2 -24.7 72.07 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 175.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' A' ' 67' ' ' SER . 60.5 t80 -70.63 -51.5 27.62 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 37.4 m-85 -63.49 -39.54 94.72 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.247 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 22.5 mt-30 -60.99 -38.15 84.96 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.656 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.1 mpt_? -70.61 -32.51 69.89 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 120.881 0.372 . . . . 0.0 111.933 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 8.9 mm-40 -63.21 -31.35 72.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.044 0.45 . . . . 0.0 110.645 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.27 -21.13 64.96 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.173 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -86.58 -7.17 58.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.886 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.4 -33.09 64.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.856 0.36 . . . . 0.0 111.332 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 m 73.81 -5.91 1.92 Allowed 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 123.941 0.896 . . . . 0.0 111.176 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -64.59 -36.32 83.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.804 0.812 . . . . 0.0 110.032 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -62.62 168.21 3.89 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 123.342 1.544 . . . . 0.0 110.854 176.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.84 -163.55 1.33 Allowed 'General case' 1 C--N 1.237 -4.312 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 -29.38 70.63 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 119.001 0.819 . . . . 0.0 110.832 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -49.69 74.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.795 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 13.5 mm-40 -71.8 -34.16 69.14 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.842 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 26.9 ttpp -57.28 -43.25 82.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.66 -33.5 74.07 Favored 'General case' 0 C--O 1.196 -1.741 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.226 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -73.53 -35.13 65.52 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 123.692 0.797 . . . . 0.0 110.087 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.636 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.0 m-85 -70.46 -45.71 65.24 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 48.5 mt-10 -65.33 -33.04 75.03 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.902 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.39 76.98 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.369 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.06 90.38 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.573 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 75.2 mt -58.63 -39.82 81.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 97' ' ' LEU . . . -73.24 -35.68 66.3 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.823 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.9 m -69.55 -45.5 68.61 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.594 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.58 -36.07 87.48 Favored Glycine 0 N--CA 1.415 -2.733 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.867 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.79 -42.92 69.69 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 93' ' ' ALA . 2.3 pp -66.07 -45.78 80.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -70.9 -26.0 63.03 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.9 tt -68.12 -39.94 82.62 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.85 -33.58 76.18 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.081 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.36 -35.53 68.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.667 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.4 mt -60.9 -48.09 83.39 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 123.766 0.827 . . . . 0.0 109.68 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 99' ' ' LEU . 66.9 mttm -66.08 -35.0 79.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.41 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.98 70.38 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.254 0.55 . . . . 0.0 109.82 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.89 -33.28 71.99 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.36 -46.35 88.89 Favored 'General case' 0 C--O 1.19 -2.051 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.616 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -37.41 87.07 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.986 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -68.45 -43.31 77.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.721 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.33 -39.51 72.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 CA-C-O 121.016 0.436 . . . . 0.0 110.705 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.67 -46.81 87.91 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.378 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.7 -50.58 14.94 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.476 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 129.124 2.969 . . . . 0.0 118.013 177.717 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.101 0.477 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -66.35 -32.31 73.63 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.811 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.58 -40.42 92.73 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 1.5 tpm_? -68.47 -26.54 65.54 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.483 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 7.0 m-85 -99.51 17.41 20.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.663 -0.815 . . . . 0.0 112.513 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -63.95 -30.96 71.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.0 mt-10 -68.93 -32.79 72.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.175 0.512 . . . . 0.0 110.666 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.47 -47.23 86.29 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.291 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 64.3 pttt -62.95 -38.87 92.81 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.986 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -58.6 -48.37 81.19 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.51 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.66 -47.71 85.02 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 123.391 0.432 . . . . 0.0 111.519 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 33' ' ' HIS . 4.3 pp -70.17 -35.53 74.05 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.111 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' N ' HD11 ' A' ' 32' ' ' LEU . 58.5 t-80 -60.79 -49.17 78.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 123.912 0.885 . . . . 0.0 109.807 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.655 ' O ' HG22 ' A' ' 38' ' ' VAL . 74.6 mt -62.22 -42.93 97.14 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.795 0 O-C-N 124.207 0.942 . . . . 0.0 110.686 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 15.5 m -60.46 -47.9 84.1 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.24 0.543 . . . . 0.0 111.228 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.69 -33.0 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.65 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.707 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 22.8 tt0 -68.47 -30.95 69.91 Favored 'General case' 0 C--O 1.196 -1.725 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.559 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 34' ' ' ILE . 79.2 t -61.08 -47.14 94.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.55 -38.31 89.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.246 0.966 . . . . 0.0 110.899 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.75 -47.99 82.72 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.77 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 35.6 mt -61.99 -43.39 98.94 Favored 'General case' 0 CA--C 1.47 -2.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 46' ' ' ASN . 28.4 tt0 -60.28 -34.34 73.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.815 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -98.24 -17.86 18.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.661 0.744 . . . . 0.0 110.142 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.4 m -82.23 -28.85 31.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.751 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -61.28 0.1 OUTLIER Glycine 0 CA--C 1.493 -1.342 0 C-N-CA 119.606 -1.283 . . . . 0.0 111.945 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 5.3 t30 76.36 24.42 1.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.142 1.377 . . . . 0.0 108.11 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -68.53 -52.06 36.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.065 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.1 p-10 -157.72 12.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 123.245 1.498 . . . . 0.0 107.747 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HB3' HD21 ' A' ' 41' ' ' LEU . 20.4 mt-10 -72.09 -35.01 69.1 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 112.528 -2.124 . . . . 0.0 109.491 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 16.8 tptt -58.44 -48.6 80.18 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -60.3 -43.9 95.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.263 -1.335 . . . . 0.0 110.914 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 90.6 mtt180 -62.05 -45.33 94.04 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.808 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.5 tp -64.27 -36.35 83.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 121.582 0.706 . . . . 0.0 111.004 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 72.8 mt -65.4 -32.76 74.56 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.223 0.535 . . . . 0.0 110.595 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 89.3 mtt180 -67.28 -35.22 79.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 10.1 tp10 -61.84 -42.56 99.18 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.029 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.0 pp -69.2 -29.94 68.01 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 109.981 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 41.8 m -63.1 -41.32 99.36 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.209 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.76 -38.42 82.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.6 m -59.36 -43.14 92.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.091 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -69.45 -29.92 67.72 Favored 'General case' 0 C--O 1.211 -0.929 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.458 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.96 90.57 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 111.495 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.825 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.326 10.1 p90 -74.66 -30.45 61.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.289 -1.364 . . . . 0.0 112.217 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -63.46 -35.01 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 50.9 mt-10 -60.27 -45.17 94.26 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.62 85.12 Favored Glycine 0 C--O 1.246 0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.054 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -65.93 -37.75 86.88 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 67.1 ttt180 -68.16 -45.12 74.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.227 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -27.06 70.76 Favored Glycine 0 N--CA 1.43 -1.716 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -71.04 -43.75 67.24 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 47.8 m-85 -61.65 -40.06 93.57 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 111.255 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 90.2 mt-30 -62.16 -41.66 98.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.482 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -69.93 -32.87 71.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.943 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 13.8 mm-40 -59.95 -30.3 68.99 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.221 0.608 . . . . 0.0 111.339 173.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.52 -16.64 62.89 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.003 0.43 . . . . 0.0 111.15 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.445 ' HB3' ' HZ3' ' A' ' 76' ' ' LYS . 8.1 mtpm? -100.64 -5.09 27.16 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.747 0.819 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -53.14 -20.77 4.12 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.107 1.363 . . . . 0.0 113.284 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m 76.0 -42.74 0.46 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 110.766 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.19 90.57 4.4 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.876 0.846 . . . . 0.0 109.645 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -163.5 149.02 11.26 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 104.57 -2.382 . . . . 0.0 104.57 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.46 -162.31 1.1 Allowed 'General case' 0 C--N 1.253 -3.611 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.5 -30.79 69.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 118.184 0.447 . . . . 0.0 111.644 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -49.79 65.64 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 120.952 0.406 . . . . 0.0 110.555 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 mp0 -70.54 -43.77 68.87 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.412 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -56.46 -43.79 79.88 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.256 1.022 . . . . 0.0 109.552 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.95 -32.69 72.46 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.875 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.43 -38.2 71.39 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 124.903 1.281 . . . . 0.0 110.148 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.62 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.8 m-85 -71.95 -46.79 56.2 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 -31.65 70.95 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.368 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.11 70.08 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 118.502 -1.279 . . . . 0.0 110.192 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -71.53 -38.13 71.09 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.44 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 97.3 mt -59.14 -37.15 76.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.82 64.67 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.895 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -68.69 -42.97 77.06 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.97 -35.81 90.01 Favored Glycine 0 N--CA 1.425 -2.033 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.514 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 23.1 t70 -67.84 -45.7 73.9 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.834 0.317 . . . . 0.0 110.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.2 -44.86 86.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.41 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 4.5 pp -70.03 -26.7 64.17 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.244 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.3 tt -67.89 -36.62 80.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 7.4 mtpm? -68.66 -33.32 73.8 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.539 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.33 -39.1 89.02 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.897 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 96.1 mt -58.08 -50.22 74.23 Favored 'General case' 0 N--CA 1.46 0.055 0 O-C-N 123.894 0.746 . . . . 0.0 110.455 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.54 -32.98 68.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.74 72.64 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.31 -34.7 73.02 Favored 'General case' 0 C--O 1.175 -2.831 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.33 -42.67 92.0 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.502 0.501 . . . . 0.0 109.737 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -37.11 80.34 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.286 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 111' ' ' ASP . 50.8 mtm180 -68.39 -42.92 78.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.888 0.851 . . . . 0.0 109.65 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 105' ' ' LEU . 87.6 t -69.62 -39.53 78.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.825 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -59.61 -38.21 80.66 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 108' ' ' ARG . 13.0 t70 -68.35 -29.91 68.75 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.56 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.44 -0.934 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.753 0 CA-C-O 121.603 0.716 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -70.57 -38.0 74.04 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.947 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -62.34 -40.06 95.12 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -62.77 -38.75 91.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.699 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -91.07 -1.66 57.75 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.944 -1.102 . . . . 0.0 112.58 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -74.09 -21.38 59.93 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.45 -44.82 77.72 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.304 1.049 . . . . 0.0 108.315 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.63 -34.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.93 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 35.7 tt0 -59.57 -35.59 74.58 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.186 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -66.14 -39.78 90.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.867 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -58.61 -45.88 88.21 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.281 0.562 . . . . 0.0 109.641 171.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 2.6 tm? -57.57 -48.47 79.25 Favored 'General case' 0 C--O 1.252 1.219 0 C-N-CA 124.689 1.196 . . . . 0.0 111.065 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.34 -35.69 73.76 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.454 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -64.14 -42.73 96.67 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.001 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 38' ' ' VAL . 84.0 mt -62.68 -45.44 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 117.719 0.236 . . . . 0.0 110.544 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -63.95 -44.22 93.47 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-O 121.466 0.65 . . . . 0.0 110.353 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 49.9 t-80 -66.79 -31.4 72.01 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.33 0.586 . . . . 0.0 110.133 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.3 tp10 -65.74 -33.88 76.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 34' ' ' ILE . 58.2 t -64.08 -38.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 5.1 m-20 -60.28 -45.4 93.47 Favored 'General case' 0 C--O 1.265 1.912 0 CA-C-O 122.452 1.12 . . . . 0.0 110.613 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.4 -47.63 59.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.61 -172.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.07 -34.14 75.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 123.398 0.436 . . . . 0.0 110.495 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' HD13 ' A' ' 41' ' ' LEU . 38.0 tt0 -61.53 -42.9 99.51 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 123.684 0.615 . . . . 0.0 110.77 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -81.62 -13.13 58.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.027 -1.069 . . . . 0.0 109.772 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 40.8 m -95.16 -4.29 46.32 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.319 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.12 -51.4 0.75 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.06 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.6 t30 71.6 73.43 0.17 Allowed 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 124.224 1.01 . . . . 0.0 110.916 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.254 34.2 mmtp -71.79 -48.65 45.09 Favored 'General case' 0 C--N 1.283 -2.31 0 C-N-CA 118.717 -1.193 . . . . 0.0 112.876 171.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -146.73 -13.76 0.43 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.965 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.74 -41.74 98.05 Favored 'General case' 0 C--O 1.191 -2.001 0 C-N-CA 123.22 0.608 . . . . 0.0 112.072 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.528 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.4 ttpp -64.98 -48.75 72.89 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.882 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.6 85.55 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.904 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -68.28 -44.57 75.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.406 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 30.5 tp -60.94 -37.9 83.97 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 123.947 0.899 . . . . 0.0 111.559 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 82.4 mt -64.46 -36.37 83.95 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 59' ' ' VAL . 79.2 ttt180 -69.31 -36.89 77.44 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.8 tp10 -61.36 -43.14 99.38 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 109.434 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 2.4 pp -71.32 -30.83 66.68 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 m -64.25 -39.66 94.4 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-O 121.484 0.659 . . . . 0.0 109.55 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 55' ' ' ARG . 61.0 t -66.59 -38.91 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.78 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 32.2 m -59.62 -46.09 90.0 Favored 'General case' 0 C--O 1.25 1.118 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.631 178.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -58.85 -36.03 73.9 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.746 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.56 76.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.78 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 7.3 p90 -76.75 -33.14 58.12 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.824 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -35.82 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.63 -31.66 68.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.58 -36.83 88.83 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 29.9 t -69.68 -32.67 71.41 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -63.86 -43.4 96.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.233 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.521 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.3 -24.66 69.22 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 174.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 59.0 t80 -70.64 -46.65 62.9 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 49.6 m-85 -65.16 -39.81 93.46 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -40.71 80.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.429 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 7.6 mpt_? -69.46 -37.52 77.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.463 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 11.0 mm-40 -65.13 -31.63 72.91 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.06 -20.89 65.77 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -110.46 -6.79 14.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.035 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.61 -28.4 67.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.161 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 m 75.79 -5.2 2.22 Favored 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.42 38.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.357 1.063 . . . . 0.0 109.925 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -142.39 154.17 44.39 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -110.66 176.83 4.88 Favored 'General case' 0 C--N 1.259 -3.363 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.37 -30.92 63.29 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.06 -49.97 72.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.56 0.744 . . . . 0.0 110.72 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 43.3 mt-10 -71.83 -37.88 70.23 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.763 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -56.27 -42.56 77.65 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -59.48 -32.77 70.56 Favored 'General case' 0 C--O 1.197 -1.705 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -74.6 -39.63 62.08 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 123.296 0.638 . . . . 0.0 109.867 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.9 m-85 -73.59 -42.21 61.85 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.79 -32.09 71.56 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 114.143 -1.389 . . . . 0.0 109.163 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.01 80.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.89 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.16 82.01 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.093 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -57.81 -42.76 84.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.89 -36.53 75.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.7 m -68.67 -45.61 71.28 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.917 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.1 87.62 Favored Glycine 0 N--CA 1.415 -2.752 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.838 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' A' ' 100' ' ' LYS . 16.6 t70 -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.08 0.467 . . . . 0.0 110.422 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.1 -48.49 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.519 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.15 -27.56 64.64 Favored 'General case' 0 C--O 1.204 -1.304 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.21 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 14.4 mt -67.21 -37.43 83.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' A' ' 96' ' ' ASP . 14.5 mptt -68.11 -37.56 81.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.18 -38.19 75.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.359 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.88 -51.05 70.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.666 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 4.5 ptpp? -72.76 -29.25 63.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.399 -0.921 . . . . 0.0 113.082 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.44 70.49 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -71.03 -33.96 70.83 Favored 'General case' 0 C--O 1.18 -2.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.38 -46.71 85.83 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 123.862 0.865 . . . . 0.0 109.771 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.1 -32.62 74.18 Favored 'General case' 0 C--O 1.183 -2.421 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -68.52 -48.88 63.2 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.445 0.698 . . . . 0.0 109.444 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.5 t -67.92 -38.37 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.312 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.45 -33.16 75.29 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.27 173.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 -17.84 54.85 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.616 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 CA--C 1.545 0.787 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.933 178.478 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.47 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -74.91 -34.76 62.2 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.674 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.01 -43.83 94.44 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.94 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -66.28 -32.86 74.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -84.06 0.0 50.04 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.083 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -72.44 -22.84 61.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.681 -0.407 . . . . 0.0 109.963 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.48 -40.34 95.49 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.785 0.802 . . . . 0.0 109.866 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.44 -34.9 25.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 6.1 tm-20 -59.77 -46.66 88.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.477 0.711 . . . . 0.0 109.481 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.67 -36.09 81.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.518 177.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -68.57 -34.16 75.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 62.0 tp -58.35 -43.43 88.35 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.725 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.3 pp -68.59 -35.11 76.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.79 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -59.13 -47.78 84.04 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.668 ' O ' HG21 ' A' ' 38' ' ' VAL . 15.0 mm -62.58 -46.7 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 O-C-N 123.302 0.376 . . . . 0.0 110.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -64.28 -44.6 91.18 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.211 0.529 . . . . 0.0 110.656 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 20.4 t60 -70.27 -31.11 68.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 122.101 -0.375 . . . . 0.0 111.359 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.0 tp10 -59.68 -37.15 77.99 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 34' ' ' ILE . 39.8 t -64.69 -45.03 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.502 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 64.0 m-20 -59.21 -45.18 91.77 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 122.322 1.058 . . . . 0.0 109.658 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.12 -47.1 63.22 Favored 'General case' 0 N--CA 1.405 -2.693 0 CA-C-N 113.403 -1.726 . . . . 0.0 109.978 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.37 -35.15 77.29 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.394 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' HD13 ' A' ' 41' ' ' LEU . 41.7 mt-10 -70.02 -24.96 63.37 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -13.17 26.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.051 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 m -95.14 -58.31 2.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.715 -174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.82 -57.63 0.01 OUTLIER Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.482 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 75.19 4.97 4.22 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.428 1.091 . . . . 0.0 110.186 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -66.04 -48.48 70.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.827 -1.078 . . . . 0.0 113.332 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.18 -22.95 1.53 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.538 0.685 . . . . 0.0 111.323 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.296 43.4 mt-10 -66.49 -32.87 74.5 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' CE ' HG13 ' A' ' 109' ' ' VAL . 38.5 tptt -55.72 -43.49 76.57 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.873 0.844 . . . . 0.0 108.986 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.85 78.54 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.082 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.09 -40.14 88.57 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 38' ' ' VAL . 7.2 tp -57.91 -50.12 74.44 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 124.587 1.155 . . . . 0.0 111.148 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.494 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 35.9 mt -67.18 -34.68 78.05 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.386 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -68.79 -35.69 77.35 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.35 -36.76 77.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.781 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.494 ' HG ' ' HA ' ' A' ' 54' ' ' LEU . 3.1 pp -74.09 -29.75 62.02 Favored 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.454 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 m -61.06 -38.89 87.82 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.315 0.579 . . . . 0.0 110.293 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.7 t -65.84 -39.89 86.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.827 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -62.42 -42.55 99.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 126.218 1.807 . . . . 0.0 108.332 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 -44.31 63.88 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.586 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.827 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.335 6.8 p90 -76.43 -31.91 58.15 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 117.576 -1.65 . . . . 0.0 112.387 -178.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 60' ' ' SER . 5.4 tp -64.37 -37.91 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.873 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.69 -39.89 95.45 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.94 93.54 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.522 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.8 m -73.73 -34.89 64.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 122.431 -0.452 . . . . 0.0 110.347 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 68.7 mtp180 -69.23 -41.39 77.09 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -64.63 -21.36 66.97 Favored Glycine 0 N--CA 1.422 -2.248 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.462 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.473 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 64.1 t80 -70.36 -48.17 57.59 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.51 -37.7 87.07 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.238 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 24.3 mt-30 -54.71 -44.77 73.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 173.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.588 ' HD2' ' O ' ' A' ' 69' ' ' GLY 0.324 0.0 OUTLIER -69.74 -30.66 68.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 119.029 -1.068 . . . . 0.0 111.891 174.86 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 7.6 mm-40 -61.63 -29.75 70.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.097 0.475 . . . . 0.0 110.977 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.39 -20.98 66.21 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.503 0.668 . . . . 0.0 110.573 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 49.3 tttp -98.99 -7.75 26.45 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.599 1.16 . . . . 0.0 109.467 -175.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 7.6 ttt-85 -63.52 -27.4 69.24 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.703 1.201 . . . . 0.0 111.31 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.6 m 75.34 -37.18 0.33 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.647 1.179 . . . . 0.0 111.03 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.15 79.1 9.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.003 0.906 . . . . 0.0 110.197 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -161.94 156.13 21.99 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 103.274 -2.862 . . . . 0.0 103.274 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.47 -167.63 1.55 Allowed 'General case' 0 C--N 1.256 -3.492 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.7 -30.35 70.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.57 -49.78 75.27 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.214 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 39.7 mt-10 -72.61 -37.36 68.11 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.627 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.75 -37.62 76.62 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.153 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.89 -37.74 88.13 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.255 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -74.09 -32.51 63.27 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 124.086 0.955 . . . . 0.0 111.218 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 9.2 m-85 -72.06 -40.58 68.23 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.64 -31.73 71.09 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.3 81.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.703 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.19 97.18 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.48 0.712 . . . . 0.0 110.695 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.7 mt -59.18 -36.4 75.27 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.192 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.67 -37.49 65.24 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 123.507 0.504 . . . . 0.0 110.657 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -43.54 81.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.433 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.25 -38.29 87.45 Favored Glycine 0 N--CA 1.419 -2.446 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.058 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.26 -47.33 86.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.83 0.452 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.83 -48.08 80.61 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.085 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.72 -29.02 65.17 Favored 'General case' 0 C--O 1.199 -1.597 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.395 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.21 -37.1 77.89 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -68.92 -33.18 73.32 Favored 'General case' 0 N--CA 1.411 -2.38 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.205 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.63 -40.88 63.44 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 109.667 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 57' ' ' LEU . 22.0 tp -59.81 -49.3 78.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.659 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 65.5 mttp -71.78 -29.14 64.15 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.644 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.73 73.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -70.54 -32.98 70.64 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.56 -45.23 89.43 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 71.1 mmtt -64.48 -32.15 73.66 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 123.532 0.52 . . . . 0.0 109.949 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 72.9 ttt180 -68.66 -48.15 64.73 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 124.134 0.974 . . . . 0.0 109.14 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.475 HG13 ' CE ' ' A' ' 50' ' ' LYS . 41.4 t -58.54 -48.68 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.809 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.496 1.518 . . . . 0.0 110.609 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.87 -40.84 68.66 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.319 -0.75 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.793 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -31.03 61.1 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.84 -36.58 78.33 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.433 0.635 . . . . 0.0 110.25 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -71.94 -40.54 68.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.726 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -89.05 5.62 43.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -69.04 -31.61 70.53 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.98 -41.67 98.27 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 122.184 0.992 . . . . 0.0 109.421 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -77.32 -34.76 21.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.609 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 42.5 tt0 -65.81 -46.47 78.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.02 78.97 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.002 0.429 . . . . 0.0 110.2 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' HG13 ' A' ' 34' ' ' ILE . 51.0 t80 -62.36 -42.88 99.76 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.314 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.91 -40.99 95.22 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 123.346 0.658 . . . . 0.0 109.333 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 28.4 mt -64.92 -42.32 94.81 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -59.5 -37.86 79.39 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.434 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' HG21 ' A' ' 38' ' ' VAL . 68.3 mt -62.37 -42.25 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.825 0.45 . . . . 0.0 110.132 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -66.2 -39.35 89.6 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.559 0.695 . . . . 0.0 109.739 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -69.47 -31.76 70.26 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 15.4 tp10 -63.9 -41.06 97.79 Favored 'General case' 0 C--O 1.197 -1.676 0 C-N-CA 123.945 0.898 . . . . 0.0 108.868 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 76.5 t -58.83 -48.61 85.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.247 0 C-N-CA 124.316 1.046 . . . . 0.0 108.236 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -58.6 -43.83 89.67 Favored 'General case' 0 C--O 1.282 2.771 0 CA-C-O 122.556 1.17 . . . . 0.0 110.919 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.31 -48.6 72.55 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.085 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 3.7 pp -65.84 -33.95 77.03 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.483 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 31.8 mm-40 -59.59 -35.44 74.3 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 123.681 0.613 . . . . 0.0 111.389 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 -14.22 21.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.336 -1.345 . . . . 0.0 111.618 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.3 m -90.87 -39.25 12.43 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.259 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.85 -50.8 0.17 Allowed Glycine 0 C--N 1.312 -0.775 0 C-N-CA 119.778 -1.201 . . . . 0.0 112.966 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 57.34 31.66 20.52 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.981 1.713 . . . . 0.0 111.626 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.48 -50.44 63.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.46 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -150.68 -9.74 0.25 Allowed 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 122.404 1.097 . . . . 0.0 109.313 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.86 -34.48 74.66 Favored 'General case' 0 C--O 1.2 -1.525 0 C-N-CA 125.745 1.618 . . . . 0.0 111.045 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 65.4 tttt -65.42 -48.5 72.57 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 120.772 0.32 . . . . 0.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.32 85.44 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.132 0.491 . . . . 0.0 110.239 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.71 -42.54 99.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.009 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.8 tp -61.27 -38.17 85.78 Favored 'General case' 0 N--CA 1.428 -1.564 0 C-N-CA 123.651 0.78 . . . . 0.0 111.537 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.5 mp -64.52 -33.73 76.59 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.81 0.814 . . . . 0.0 111.203 174.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -69.73 -25.18 63.72 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.7 174.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 9.0 tp10 -70.22 -37.79 75.09 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.268 4.0 pp -72.56 -29.26 63.39 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 177.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.2 m -62.18 -39.26 92.08 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.49 -38.72 83.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.764 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.8 m -60.54 -46.63 89.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.06 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.87 86.53 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.764 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 16.0 p90 -75.8 -31.36 59.39 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 117.986 -1.486 . . . . 0.0 110.782 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mm -60.22 -48.45 88.05 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.71 -28.34 64.67 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.341 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.39 -46.03 81.17 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 174.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 p -68.96 -35.55 76.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -62.72 -42.28 99.58 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.62 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.89 -25.38 71.9 Favored Glycine 0 N--CA 1.419 -2.495 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.09 -49.72 41.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 31.9 m-85 -59.86 -40.43 88.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.653 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -65.73 -39.48 91.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.62 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.8 -33.96 73.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.127 0.489 . . . . 0.0 111.568 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -70.3 -37.51 74.79 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.76 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 tp -66.53 -15.92 63.76 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.68 0.753 . . . . 0.0 110.765 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 81.6 tttt -82.65 -15.91 50.29 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.027 0.931 . . . . 0.0 110.195 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' HB3' ' OD2' ' A' ' 79' ' ' ASP . 54.5 mtt180 -69.96 -34.46 73.44 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 m 77.28 -22.65 0.27 Allowed 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 3.9 p30 -65.98 -15.72 63.25 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 121.748 0.785 . . . . 0.0 111.754 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.54 171.22 0.21 Allowed 'General case' 0 CA--C 1.476 -1.879 0 C-N-CA 127.716 2.406 . . . . 0.0 111.331 174.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.6 -176.78 4.09 Favored 'General case' 1 C--N 1.234 -4.433 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.87 -30.4 70.12 Favored 'General case' 0 C--O 1.191 -2.007 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.04 -48.84 80.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.173 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 21.9 mm-40 -71.7 -48.1 49.57 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.722 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.98 -44.4 78.52 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.638 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -68.17 -32.33 72.5 Favored 'General case' 0 C--O 1.188 -2.163 0 O-C-N 123.157 0.285 . . . . 0.0 110.764 -176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.75 -40.57 63.4 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.3 m-85 -76.77 -42.12 42.06 Favored 'General case' 0 CA--C 1.484 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.44 -33.59 76.05 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.93 71.2 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.526 -1.269 . . . . 0.0 109.564 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.53 -43.57 76.45 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.469 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -33.94 77.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.471 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.51 62.58 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.641 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 m -67.9 -41.65 82.38 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.2 -44.76 97.71 Favored Glycine 0 N--CA 1.417 -2.575 0 CA-C-N 114.005 -1.452 . . . . 0.0 112.422 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.7 -41.33 92.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 117.251 0.526 . . . . 0.0 110.498 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.44 -43.77 89.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.232 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.6 pp -72.38 -27.65 62.51 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.649 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.19 -46.43 77.36 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -69.35 -31.24 69.54 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.717 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.03 -34.59 76.76 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 87.4 mt -58.04 -48.67 79.38 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 99.8 mttt -69.12 -27.23 65.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.056 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.1 73.73 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -34.32 71.77 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.72 -41.94 87.55 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.958 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.8 mmtt -65.84 -35.52 80.9 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.388 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.74 -45.09 75.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.503 0.668 . . . . 0.0 109.552 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.58 -39.3 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.677 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -59.6 -38.45 81.29 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -76.25 -18.2 59.12 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.886 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.414 -2.248 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.475 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.401 0 CA-C-O 121.197 0.522 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -41.7 97.45 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.155 0.982 . . . . 0.0 110.005 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.67 -36.38 76.33 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.613 0.765 . . . . 0.0 110.953 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -75.77 -39.22 57.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.118 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -84.94 -4.82 59.28 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.429 0.633 . . . . 0.0 112.245 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -68.15 -27.46 66.45 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.546 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 18.9 mm-40 -72.45 -29.84 64.04 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.607 0.717 . . . . 0.0 109.963 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.5 mp -78.4 -35.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 19.4 tp10 -59.23 -39.91 84.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.614 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 39.8 ttmt -59.33 -39.82 84.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.256 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 25.1 m-85 -59.59 -44.89 93.23 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.52 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.2 -39.85 80.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 120.955 0.407 . . . . 0.0 111.513 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 23.9 mt -63.57 -47.05 83.11 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.38 -45.72 90.65 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.502 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 38' ' ' VAL . 73.7 mt -62.68 -46.09 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -64.14 -41.97 96.99 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.967 0.413 . . . . 0.0 110.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.13 -39.11 91.45 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 109.752 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -30.3 67.85 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 34' ' ' ILE . 47.7 t -62.9 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.9 -45.07 87.47 Favored 'General case' 0 C--O 1.265 1.882 0 CA-C-O 122.124 0.964 . . . . 0.0 110.427 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.99 -44.52 95.8 Favored 'General case' 0 C--O 1.194 -1.863 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.141 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.1 pp -64.44 -35.01 79.54 Favored 'General case' 0 CA--C 1.483 -1.626 0 O-C-N 123.373 0.421 . . . . 0.0 110.81 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' N ' HD11 ' A' ' 41' ' ' LEU . 1.3 tm-20 -63.1 -34.48 77.69 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.7 -36.03 17.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.015 0.912 . . . . 0.0 110.007 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.502 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 23.3 m -68.91 -10.73 58.71 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 125.752 1.621 . . . . 0.0 112.097 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.39 -37.83 2.53 Favored Glycine 0 N--CA 1.463 0.455 0 C-N-CA 119.125 -1.512 . . . . 0.0 114.394 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 71.68 19.12 5.08 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 122.232 1.015 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HG2' ' OE1' ' A' ' 49' ' ' GLU . 6.5 ptpp? -67.05 -47.55 71.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.573 -173.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.84 -17.66 3.14 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 122.036 0.922 . . . . 0.0 109.758 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.524 ' OE1' ' HG2' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -59.87 -35.77 75.51 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.024 -171.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.679 ' HE2' ' O ' ' A' ' 109' ' ' VAL . 9.2 tptm -65.45 -50.53 65.05 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.317 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.949 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -66.03 -48.59 70.62 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.968 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.77 -35.59 77.25 Favored 'General case' 0 N--CA 1.423 -1.779 0 CA-C-O 121.307 0.575 . . . . 0.0 110.962 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 93.5 mt -62.26 -33.18 74.12 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.191 0.52 . . . . 0.0 111.036 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 59' ' ' VAL . 27.0 ttm180 -69.34 -37.35 77.65 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.43 -35.51 79.48 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.789 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.4 pp -71.84 -32.08 67.16 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.793 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 42.9 m -64.95 -35.75 82.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 121.844 0.83 . . . . 0.0 109.821 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 55' ' ' ARG . 48.5 t -69.3 -43.12 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.813 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 19.4 m -62.84 -31.15 72.11 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 123.287 1.518 . . . . 0.0 110.432 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' THR . 24.3 tt0 -67.98 -37.4 81.48 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-N 112.052 -2.34 . . . . 0.0 107.257 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.11 63.7 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.898 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.813 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 2.5 m-85 -63.94 -41.4 97.62 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 32.9 mm -59.22 -45.26 93.06 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.738 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 68' ' ' ARG . 11.1 mm-40 -56.61 -45.27 81.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 111.77 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.78 95.9 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.6 m -69.74 -32.35 70.84 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 43.2 mtm105 -67.91 -39.61 83.56 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.287 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.695 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.99 -31.54 79.78 Favored Glycine 0 N--CA 1.42 -2.401 0 C-N-CA 120.249 -0.977 . . . . 0.0 110.693 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -70.63 -52.03 24.05 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 121.292 0.567 . . . . 0.0 109.666 -173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -65.89 -38.81 89.74 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.738 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.12 -40.03 84.16 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.335 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.9 mpt_? -69.59 -44.69 70.25 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.826 -0.17 . . . . 0.0 110.742 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.62 -29.45 70.06 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.408 HD11 ' HG3' ' A' ' 85' ' ' LYS . 28.9 tp -66.18 -15.86 63.5 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.755 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 20.9 pttm -96.07 -5.29 41.25 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 121.952 -0.467 . . . . 0.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' HB ' ' A' ' 78' ' ' THR . 27.9 ttt180 -50.74 -19.66 1.02 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.577 1.951 . . . . 0.0 115.118 -167.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 77' ' ' ARG . 61.9 m 75.87 -46.66 0.56 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.719 0.808 . . . . 0.0 110.336 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -92.11 74.59 5.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 123.175 1.464 . . . . 0.0 111.09 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -159.52 152.98 22.48 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -127.11 -161.88 1.11 Allowed 'General case' 0 C--N 1.268 -2.972 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.06 -30.55 69.29 Favored 'General case' 0 C--O 1.202 -1.405 0 CA-C-N 118.043 0.383 . . . . 0.0 111.004 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.3 -48.54 77.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.506 0.669 . . . . 0.0 111.484 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 9.5 mp0 -71.26 -45.4 63.26 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.201 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 23.4 ttmm -55.59 -40.88 72.61 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 114.286 -1.324 . . . . 0.0 109.767 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.22 -36.71 83.74 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.377 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -74.51 -32.75 62.61 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 122.973 0.509 . . . . 0.0 111.054 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.6 m-30 -68.78 -45.36 71.55 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 58.5 mt-10 -67.97 -32.43 72.85 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.628 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.36 79.28 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.796 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.78 96.4 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 96.4 mt -59.25 -41.91 89.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.359 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 -35.28 67.98 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -66.27 -44.7 82.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -41.61 95.66 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.32 -49.92 75.99 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 122.775 0.43 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.604 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.68 -28.63 63.86 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.603 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.52 -40.63 76.8 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 122.312 1.053 . . . . 0.0 108.33 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -71.81 -31.02 66.12 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.798 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.18 -38.8 82.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 106' ' ' GLN . 79.8 mt -54.95 -48.37 73.28 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.589 173.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -61.46 -38.15 86.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.544 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.28 68.01 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.498 ' O ' HG21 ' A' ' 109' ' ' VAL . 1.2 pp -70.45 -33.82 71.73 Favored 'General case' 0 C--O 1.174 -2.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -59.12 -44.11 91.98 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 124.374 1.069 . . . . 0.0 109.187 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.33 -34.29 77.65 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.335 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -67.35 -42.04 84.18 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.759 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.679 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 60.1 t -70.56 -38.74 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.337 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 9.7 mm100 -49.68 -46.93 50.42 Favored 'General case' 0 CA--C 1.489 -1.399 0 C-N-CA 123.353 0.661 . . . . 0.0 110.307 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.5 -50.37 6.58 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 117.246 -1.781 . . . . 0.0 110.967 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.491 1.588 0 C-N-CA 127.752 2.421 . . . . 0.0 115.924 -179.544 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 p -75.34 -35.28 61.2 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.14 0.495 . . . . 0.0 111.781 -176.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.09 -36.31 77.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.55 -34.62 77.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -95.43 14.76 21.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.451 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 27.1 t60 -72.77 -29.38 63.26 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 1.4 mp0 -63.28 -40.87 98.59 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.294 0.568 . . . . 0.0 110.888 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.0 -34.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.532 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -66.45 -39.61 88.96 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.299 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 14.1 ptmm? -66.86 -36.47 82.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.55 0.691 . . . . 0.0 109.545 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.72 -37.39 82.16 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.83 -37.01 82.84 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 47.3 mt -65.48 -44.48 87.01 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 176.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.66 -39.01 82.99 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.129 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.538 ' O ' HG21 ' A' ' 38' ' ' VAL . 26.6 mm -61.81 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 26.0 m -62.85 -44.07 97.12 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 121.484 0.659 . . . . 0.0 110.39 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -70.81 -30.55 67.03 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.43 -32.8 74.34 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 34' ' ' ILE . 68.8 t -62.37 -50.64 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.606 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.18 -42.58 73.38 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.499 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.17 -45.67 55.2 Favored 'General case' 0 N--CA 1.402 -2.866 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.493 -173.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.422 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -68.9 -34.24 75.09 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 38' ' ' VAL . 2.8 tp10 -61.81 -40.91 96.91 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -13.18 50.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.437 1.113 . . . . 0.0 110.081 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 2.6 m -83.61 -33.61 25.29 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.082 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.71 -46.08 0.79 Allowed Glycine 0 CA--C 1.478 -2.227 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.024 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.501 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 32.0 t30 67.47 60.9 0.47 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.861 0.839 . . . . 0.0 111.25 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -72.01 -50.43 28.69 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.518 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.69 -0.3 1.75 Allowed 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.22 -36.95 85.74 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.923 -172.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 3.3 tppp? -62.17 -49.54 75.41 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -62.86 -44.62 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.026 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -59.82 -47.13 86.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 34.4 tp -65.14 -39.33 92.87 Favored 'General case' 0 N--CA 1.408 -2.54 0 CA-C-O 121.145 0.498 . . . . 0.0 111.928 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 76.4 mt -69.96 -33.91 72.7 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.079 -0.649 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 97.4 mtt180 -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.0 tp10 -62.06 -43.93 97.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.273 1.029 . . . . 0.0 109.185 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' HB2' HD13 ' A' ' 102' ' ' LEU . 3.8 pp -71.3 -29.98 65.7 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.1 m -62.9 -39.21 93.81 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 122.241 1.019 . . . . 0.0 109.187 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.62 -38.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.802 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 20.3 m -61.68 -46.97 87.43 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.632 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.27 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.34 80.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.703 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.802 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.281 9.3 p90 -76.68 -31.47 57.28 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.207 -178.596 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -66.65 -33.97 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.195 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.56 -34.35 76.87 Favored 'General case' 0 N--CA 1.435 -1.194 0 O-C-N 121.799 -0.563 . . . . 0.0 109.498 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.25 93.66 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.15 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 p -69.69 -32.36 70.91 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.1 mtm180 -67.83 -41.27 83.26 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.971 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -61.51 -26.79 66.96 Favored Glycine 0 N--CA 1.431 -1.671 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.0 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -70.35 -46.18 64.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.34 -39.79 88.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.736 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.7 -36.57 81.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.571 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 16.8 mmm180 -71.12 -39.91 71.76 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.98 0.419 . . . . 0.0 110.583 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.95 -29.93 69.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 75' ' ' LEU . 5.6 tt -60.87 -23.83 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.655 1.182 . . . . 0.0 109.276 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.59 -6.49 58.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.76 -54.3 20.39 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.9 m 75.79 3.76 3.84 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 122.355 1.074 . . . . 0.0 110.511 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.51 -26.13 63.45 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.744 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.553 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 5.7 mp -97.43 -178.65 4.22 Favored 'General case' 0 N--CA 1.41 -2.441 0 C-N-CA 124.382 1.073 . . . . 0.0 110.845 -176.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.7 t70 -108.76 -158.85 0.66 Allowed 'General case' 0 C--N 1.267 -3.016 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.421 -172.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -57.77 -27.54 63.16 Favored 'General case' 0 C--O 1.191 -1.998 0 CA-C-O 121.114 0.483 . . . . 0.0 109.98 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.249 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.659 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.8 pt-20 -71.13 -54.15 12.07 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 118.317 -1.353 . . . . 0.0 108.892 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 13.3 mptt -56.03 -43.63 77.99 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.948 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 83.4 t80 -68.81 -33.03 73.17 Favored 'General case' 0 N--CA 1.419 -1.982 0 O-C-N 123.888 0.742 . . . . 0.0 111.691 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -73.73 -37.42 65.11 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.659 ' CZ ' ' HB2' ' A' ' 84' ' ' GLU . 5.7 m-85 -76.38 -44.04 38.04 Favored 'General case' 0 CA--C 1.464 -2.335 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 12.3 pt-20 -66.68 -31.96 72.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.78 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.28 70.43 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.13 -34.65 73.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.2 mt -63.32 -38.51 91.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.01 62.36 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.49 0.494 . . . . 0.0 110.177 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.3 m -64.48 -47.12 80.17 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.507 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -68.17 -39.86 88.17 Favored Glycine 0 N--CA 1.423 -2.169 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.424 -177.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.78 -42.09 77.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.301 0.55 . . . . 0.0 110.32 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.98 -42.4 89.87 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 102' ' ' LEU . 4.1 pp -71.33 -28.74 64.3 Favored 'General case' 0 C--O 1.201 -1.499 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.523 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -67.62 -40.82 84.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -63.86 -33.6 76.06 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.907 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.73 -36.36 70.45 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 98' ' ' LEU . 3.0 mm? -57.2 -46.21 83.08 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.67 -41.48 83.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.606 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.27 72.24 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 109' ' ' VAL . 1.1 pp -69.41 -34.46 74.52 Favored 'General case' 0 C--O 1.18 -2.602 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -59.97 -37.93 81.04 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 123.224 0.328 . . . . 0.0 111.353 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.54 -36.73 81.55 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -68.06 -41.16 82.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.862 0.839 . . . . 0.0 110.146 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.463 HG13 ' HD2' ' A' ' 50' ' ' LYS . 90.4 t -68.73 -38.46 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.803 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -62.85 -35.84 81.29 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.15 -35.13 79.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.637 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.557 1.227 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.253 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 121.133 0.492 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -70.42 -33.82 71.79 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.166 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -68.75 -39.96 80.04 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.175 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HG2' ' HA ' ' A' ' 20' ' ' ALA . 16.0 ptm180 -77.6 -17.74 57.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.136 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -110.53 13.2 22.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.133 0.492 . . . . 0.0 111.168 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.22 -41.94 97.74 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.28 175.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.58 -34.57 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.363 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.67 -37.07 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 120.987 0.422 . . . . 0.0 110.102 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.73 -38.68 91.82 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.914 175.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.635 ' O ' HG12 ' A' ' 34' ' ' ILE . 46.9 m-85 -60.27 -42.56 95.66 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.195 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.55 -47.97 80.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.183 0.516 . . . . 0.0 110.07 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.48 -34.81 74.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.664 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.594 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 31.9 t-80 -64.94 -39.38 93.4 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.213 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 30' ' ' PHE . 48.4 mm -62.76 -46.58 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -60.41 -40.5 91.22 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.378 0.608 . . . . 0.0 109.782 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.57 -46.78 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.212 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 9.5 mm-40 -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.489 0.493 . . . . 0.0 109.917 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 34' ' ' ILE . 56.1 t -65.27 -50.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.81 -37.79 87.22 Favored 'General case' 0 C--O 1.271 2.235 0 CA-C-O 122.201 1.001 . . . . 0.0 109.723 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.02 -47.4 84.92 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.046 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 4.6 pp -66.69 -33.73 76.29 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 74.6 mm-40 -59.32 -29.57 67.73 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 123.671 0.607 . . . . 0.0 110.484 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -106.47 -11.83 15.81 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.074 -1.05 . . . . 0.0 112.872 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -107.02 -43.84 4.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -172.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.8 -88.88 0.07 OUTLIER Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.241 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 109.19 -3.9 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 128.185 2.594 . . . . 0.0 111.333 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -64.22 -48.82 74.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -166.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.3 p-10 -126.1 -10.36 6.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.595 0.712 . . . . 0.0 109.904 176.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -68.46 -36.85 79.59 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 125.408 1.483 . . . . 0.0 112.883 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 11.2 tptm -67.38 -47.34 70.65 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -176.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.38 79.44 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.065 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 31.2 ttt180 -63.5 -48.89 75.74 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 124.515 1.126 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 3.9 pp -67.86 -31.53 71.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.5 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 69.7 mt -64.16 -34.26 77.66 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 121.531 0.681 . . . . 0.0 110.114 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 ttt180 -69.25 -36.31 77.01 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.16 -34.82 71.33 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.771 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' HD23 ' A' ' 102' ' ' LEU . 3.8 pp -71.39 -32.72 68.78 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.5 m -62.37 -38.46 89.68 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 123.724 0.81 . . . . 0.0 110.751 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 55' ' ' ARG . 74.0 t -70.66 -39.08 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 175.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.792 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.8 m -61.26 -41.93 97.77 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 122.581 1.181 . . . . 0.0 109.548 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -63.62 -33.12 74.91 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.832 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.56 60.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.447 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.792 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.368 3.4 p90 -72.04 -31.26 65.99 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.211 -0.996 . . . . 0.0 113.605 177.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 HG13 HD12 ' A' ' 98' ' ' LEU . 14.8 mm -65.53 -40.86 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.399 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.5 -43.56 98.65 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.93 -44.01 98.4 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.635 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -71.75 -36.8 70.54 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.776 -0.249 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HA ' ' CD2' ' A' ' 71' ' ' PHE . 39.7 ptt180 -69.7 -33.35 72.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.697 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.53 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -67.65 -27.28 73.6 Favored Glycine 0 N--CA 1.429 -1.808 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -71.06 -38.72 72.48 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 68' ' ' ARG . 20.2 m-85 -64.97 -40.65 95.31 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.98 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 15.7 mm100 -56.58 -42.0 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.481 0.488 . . . . 0.0 109.868 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -62.4 -43.61 98.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 176.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 40.4 mt-10 -68.19 -31.32 70.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.008 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 96.1 mt -71.85 -17.82 62.11 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 3.7 mmmp? -90.78 -13.03 34.73 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 74' ' ' GLU . 99.2 mtt180 -66.81 -20.67 65.98 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.327 0.584 . . . . 0.0 109.882 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 m 73.54 -32.59 0.24 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.52 1.528 . . . . 0.0 114.204 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.91 -76.13 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.001 0.52 . . . . 0.0 111.649 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mp 58.38 171.87 0.06 Allowed 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.525 1.631 . . . . 0.0 114.998 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.93 152.14 51.27 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-N 111.828 -2.442 . . . . 0.0 104.679 168.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.45 -40.11 93.27 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 118.425 0.557 . . . . 0.0 110.774 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.57 -38.31 80.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.12 0.486 . . . . 0.0 110.477 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.2 -41.41 85.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.444 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 27.4 ttpp -60.94 -39.27 88.82 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.16 -34.22 74.67 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.246 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -74.1 -39.43 63.38 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.077 1.351 . . . . 0.0 109.028 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.1 m-85 -69.12 -45.32 70.46 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.21 -31.99 72.75 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.372 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.08 74.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.363 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.82 74.99 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.452 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -58.25 -41.91 85.23 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.66 -29.01 62.06 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.4 m -75.33 -39.69 59.16 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.73 -41.07 89.74 Favored Glycine 0 N--CA 1.415 -2.727 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 26.2 t70 -57.71 -49.3 76.97 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 122.738 0.415 . . . . 0.0 110.563 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 78.8 mt -62.75 -46.35 88.47 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 HD12 HG13 ' A' ' 64' ' ' ILE . 4.6 pp -70.67 -26.89 63.64 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.292 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.53 -38.4 84.16 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 5.1 mptp? -68.9 -32.84 72.77 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.995 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.32 -45.81 75.35 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 57' ' ' LEU . 71.9 mt -60.3 -51.04 71.22 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.543 1.137 . . . . 0.0 111.582 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.419 ' O ' ' HE2' ' A' ' 107' ' ' LYS . 67.0 mttm -69.95 -35.22 74.32 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.87 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.24 71.15 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.006 0.431 . . . . 0.0 110.274 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.428 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -71.22 -33.88 70.31 Favored 'General case' 0 C--O 1.184 -2.387 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' HD23 ' A' ' 54' ' ' LEU . 21.6 tm0? -63.98 -38.53 91.43 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -68.45 -33.03 73.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.295 175.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -68.71 -41.99 78.32 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 105' ' ' LEU . 94.4 t -63.65 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.37 -33.25 75.53 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.868 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.42 -42.65 68.02 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.787 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.273 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.687 0.28 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 p -73.35 -29.0 62.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.327 0.584 . . . . 0.0 110.918 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -67.33 -35.2 78.92 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.155 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -72.64 -48.53 38.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.971 174.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.1 81.81 5.06 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.838 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 -27.38 2.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -73.35 -39.6 65.08 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.9 tp -69.68 -34.23 60.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.703 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 9.4 tp10 -63.35 -48.19 79.0 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.224 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 19.7 ptpt -64.97 -36.43 84.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.304 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.1 m-85 -57.7 -44.12 85.65 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 123.161 0.288 . . . . 0.0 110.508 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.68 -45.91 85.0 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.803 0.69 . . . . 0.0 109.248 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 21.4 mt -63.58 -44.87 92.8 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 122.084 0.945 . . . . 0.0 109.794 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 61.1 m-70 -67.68 -36.24 80.32 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.629 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 38' ' ' VAL . 94.4 mt -62.45 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 123.708 0.63 . . . . 0.0 109.785 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -61.5 -45.67 93.26 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 121.589 0.709 . . . . 0.0 110.512 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.9 -36.98 81.14 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.9 tp10 -59.91 -41.2 91.17 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 72.9 t -58.7 -50.43 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 C-N-CA 124.247 1.019 . . . . 0.0 109.355 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.2 -40.64 94.47 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-O 121.957 0.884 . . . . 0.0 110.846 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.41 -42.99 82.33 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.501 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.35 -34.61 76.4 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 70.0 mt-10 -62.45 -36.57 82.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -12.65 48.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.091 0.948 . . . . 0.0 111.099 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.453 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 5.9 m -91.02 -37.63 13.33 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.247 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.88 -49.9 0.3 Allowed Glycine 0 C--O 1.213 -1.193 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 75.4 12.78 3.17 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 126.436 1.895 . . . . 0.0 112.25 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -63.28 -50.34 70.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.241 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.03 -26.74 3.37 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.002 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.82 -37.89 83.54 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.7 tttm -67.1 -49.37 65.2 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.448 -176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.96 93.03 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.5 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -69.24 -41.28 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.619 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.75 -38.08 89.77 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 122.92 0.488 . . . . 0.0 110.991 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 64.3 mt -64.62 -33.22 75.43 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.196 0.522 . . . . 0.0 110.427 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.98 -33.62 74.98 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 59' ' ' VAL . 31.1 tt0 -66.49 -38.79 88.03 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.372 176.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 3.1 pp -68.26 -31.11 70.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.398 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 m -64.37 -38.1 89.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.38 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -73.95 -37.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.955 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.733 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 35.6 p -61.97 -41.15 97.68 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.203 0.525 . . . . 0.0 112.236 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' O ' HG21 ' A' ' 64' ' ' ILE . 13.2 pt-20 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.0 96.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.733 ' CE2' ' HA ' ' A' ' 60' ' ' SER 0.252 14.2 p90 -76.21 -31.84 58.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 117.975 -1.49 . . . . 0.0 111.827 178.663 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -66.7 -37.32 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.75 -36.78 81.15 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 122.377 -0.202 . . . . 0.0 111.456 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.87 92.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -71.0 -35.31 72.03 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 65.7 mtp180 -69.5 -37.67 77.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.744 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.91 -26.63 70.28 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.611 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 81.5 t80 -70.3 -48.17 57.86 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -57.98 -38.54 76.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.974 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 15.3 mm100 -64.79 -45.48 86.12 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.469 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 4.8 ptm180 -70.6 -32.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.378 0.608 . . . . 0.0 110.612 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.01 -29.55 66.64 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.152 0.981 . . . . 0.0 109.305 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -71.64 -15.13 62.23 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.493 0.663 . . . . 0.0 110.099 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 72' ' ' GLN . 94.4 mttt -103.48 -5.33 22.93 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.222 1.009 . . . . 0.0 110.362 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' A' ' 79' ' ' ASP . 26.9 tpt180 -52.08 -27.44 13.95 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.704 1.601 . . . . 0.0 114.401 -174.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 m 72.53 -38.25 0.41 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.02 0.928 . . . . 0.0 110.607 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 77' ' ' ARG . 34.5 t70 -87.76 68.71 9.48 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.291 1.043 . . . . 0.0 109.006 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 84' ' ' GLU . 2.6 pt? -162.69 154.4 18.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.416 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.69 -173.61 2.63 Favored 'General case' 0 C--N 1.275 -2.654 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 4.3 pp -57.69 -29.48 64.7 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 123.416 0.447 . . . . 0.0 111.67 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.1 -48.22 76.57 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 121.838 0.827 . . . . 0.0 110.246 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -70.37 -45.07 66.8 Favored 'General case' 0 N--CA 1.418 -2.041 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.705 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 29.4 mtpp -56.08 -41.26 74.88 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.161 177.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.88 -34.26 77.72 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 123.769 0.668 . . . . 0.0 111.575 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.1 -40.79 62.47 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.013 0.925 . . . . 0.0 109.915 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 4.4 m-85 -74.04 -39.05 63.82 Favored 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.46 -34.86 79.28 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.64 -44.43 70.62 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.995 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.83 79.21 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.281 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 81.9 mt -60.14 -41.75 93.38 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 122.386 0.274 . . . . 0.0 110.763 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.95 -35.88 74.85 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 123.407 0.442 . . . . 0.0 110.622 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 54.7 m -65.41 -49.93 67.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-O 121.863 0.839 . . . . 0.0 109.186 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.71 -43.47 96.27 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' CG ' ' HZ3' ' A' ' 100' ' ' LYS . 13.1 t70 -60.38 -44.83 95.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.532 0.333 . . . . 0.0 111.348 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 94' ' ' THR . 2.1 pp -63.63 -48.2 78.25 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.326 -175.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.02 -27.63 63.82 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.413 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -69.5 -31.33 69.51 Favored 'General case' 0 N--CA 1.414 -2.252 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.575 176.152 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.38 -35.06 70.95 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.741 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.97 -50.37 70.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.531 0.732 . . . . 0.0 109.628 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -38.78 92.37 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.777 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.75 75.37 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.497 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.43 -36.27 73.89 Favored 'General case' 0 C--O 1.187 -2.231 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.005 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.27 -45.93 89.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 O-C-N 123.719 0.637 . . . . 0.0 110.765 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.02 -32.38 72.71 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 123.376 0.423 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -69.03 -44.2 73.19 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.235 0.614 . . . . 0.0 110.178 175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 105' ' ' LEU . 92.6 t -68.48 -39.84 81.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.379 0.609 . . . . 0.0 109.932 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.24 -45.63 87.41 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.35 -41.32 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.686 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.212 -0.901 0 C-N-CA 122.867 0.467 . . . . 0.0 112.104 -179.522 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -70.73 -32.48 69.68 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.38 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -58.61 -44.35 89.89 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.674 0.749 . . . . 0.0 110.643 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -76.14 -28.2 57.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.422 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -96.66 1.01 50.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.389 0.614 . . . . 0.0 112.062 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.74 -24.25 66.92 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.7 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.38 -41.87 93.26 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.043 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mp -71.65 -34.42 52.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.44 -41.25 89.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.28 -46.5 88.38 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.608 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -57.96 -45.28 86.92 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 123.191 0.307 . . . . 0.0 111.64 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 81.4 mt -61.78 -45.43 93.9 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.357 0.411 . . . . 0.0 110.72 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.256 4.4 pp -67.8 -35.26 78.34 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.854 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -61.05 -51.9 67.21 Favored 'General case' 0 CA--C 1.476 -1.876 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 38' ' ' VAL . 82.7 mt -61.29 -40.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.326 -176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -61.58 -45.09 95.62 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.341 0.591 . . . . 0.0 109.819 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -65.0 -36.86 85.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.827 0.851 . . . . 0.0 110.38 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -33.91 68.7 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.149 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 34' ' ' ILE . 74.0 t -59.64 -41.91 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.87 -42.58 94.72 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.205 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.84 -47.85 81.59 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.057 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.514 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.4 pp -65.23 -33.72 76.66 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.353 0.261 . . . . 0.0 111.103 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.18 -28.04 66.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 123.424 0.452 . . . . 0.0 111.697 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.84 -12.55 16.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.396 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.514 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 59.9 m -99.76 -67.72 0.84 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.194 -175.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.74 70.84 0.11 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -61.84 -33.13 73.62 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -31.38 70.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -168.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.07 -44.1 3.64 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.931 0.872 . . . . 0.0 110.284 -174.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.91 -35.55 74.67 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.411 -1.268 . . . . 0.0 113.087 -172.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.48 -40.79 92.55 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.548 -176.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.86 88.82 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.763 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -50.27 73.48 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.536 0.684 . . . . 0.0 109.257 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.16 -33.55 73.61 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.717 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 30.0 mt -63.95 -33.67 76.25 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.153 175.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -69.13 -31.47 70.17 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 59' ' ' VAL . 33.8 tt0 -67.01 -29.11 68.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.356 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 34' ' ' ILE 0.295 3.0 pp -74.93 -30.83 61.36 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 118.27 -1.372 . . . . 0.0 110.408 173.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 14.7 m -63.36 -36.37 83.47 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 121.5 0.667 . . . . 0.0 110.554 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 56' ' ' GLU . 7.9 p -70.8 -37.0 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.234 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.848 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 26.3 m -60.94 -31.06 70.61 Favored 'General case' 0 C--O 1.257 1.471 0 CA-C-O 122.896 1.331 . . . . 0.0 110.92 175.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.613 ' HB3' ' O ' ' A' ' 58' ' ' THR . 7.9 tp10 -67.66 -39.42 84.53 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 112.627 -2.078 . . . . 0.0 107.039 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.0 66.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.303 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.848 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 3.0 m-85 -65.22 -44.71 87.43 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 119.179 -1.008 . . . . 0.0 108.328 175.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.4 mm -61.92 -49.48 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.41 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -56.18 -45.91 79.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.155 0.284 . . . . 0.0 111.456 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.52 93.65 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 m -72.36 -32.81 66.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 42.1 mtp180 -69.64 -43.15 73.22 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.611 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.92 -28.52 72.85 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.475 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 56.7 t80 -66.38 -51.91 52.27 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.57 -38.56 87.94 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.344 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.58 -50.3 70.44 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 119.105 -0.474 . . . . 0.0 112.175 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.14 -30.96 68.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.891 -1.523 . . . . 0.0 112.443 177.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 77' ' ' ARG . 15.4 mm-40 -64.79 -30.27 71.27 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.6 tt -69.62 -16.45 63.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 122.057 0.932 . . . . 0.0 109.525 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -97.62 -5.98 34.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.425 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 41.0 mmt180 -62.96 -26.67 68.94 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m 75.16 -13.2 0.87 Allowed 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 124.288 1.035 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -31.14 65.71 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 75' ' ' LEU . 2.7 pt? -59.21 154.64 15.8 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.355 1.55 . . . . 0.0 110.927 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -117.04 177.31 4.76 Favored 'General case' 1 C--N 1.232 -4.508 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.97 -30.14 65.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 119.017 0.826 . . . . 0.0 109.802 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.04 -49.14 78.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.606 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 31.6 mm-40 -70.78 -39.4 73.22 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HB2' HD13 ' A' ' 80' ' ' LEU . 56.5 tttm -57.52 -38.73 75.14 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.001 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.56 -35.07 78.32 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.787 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -74.29 -32.34 62.86 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 123.628 0.771 . . . . 0.0 111.218 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.4 m-85 -68.28 -48.89 63.82 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.2 -31.64 72.6 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.958 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.15 79.34 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.09 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.38 79.6 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.548 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 84.7 mt -58.85 -40.19 83.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.58 -35.27 72.95 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.696 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -70.43 -45.37 66.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -65.98 -36.08 91.54 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.591 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.46 -42.44 95.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 111.43 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 84.4 mt -64.22 -49.64 71.17 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.456 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.46 -26.15 63.51 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.367 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 6.4 tt -63.54 -43.87 95.83 Favored 'General case' 0 C--O 1.253 1.249 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -69.55 -33.38 72.69 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.811 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.58 -31.17 61.97 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.816 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.88 -47.11 87.07 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 124.528 1.131 . . . . 0.0 108.039 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.41 ' HZ2' ' CD2' ' A' ' 99' ' ' LEU . 60.0 mttp -69.22 -33.75 73.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.073 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.32 -43.57 66.79 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 121.046 0.45 . . . . 0.0 110.492 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.03 -33.75 74.13 Favored 'General case' 0 C--O 1.186 -2.273 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.67 -40.87 84.76 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 123.469 0.708 . . . . 0.0 110.08 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.3 -33.2 73.91 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.945 0.402 . . . . 0.0 110.183 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -69.14 -43.99 73.25 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.787 0.803 . . . . 0.0 109.336 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.496 ' CG1' ' HD3' ' A' ' 50' ' ' LYS . 54.6 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.675 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.99 -32.56 73.04 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.566 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.6 -31.01 61.9 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.439 -0.979 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.443 -179.097 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 p -74.29 -39.09 63.16 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.42 -35.67 80.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -76.84 -25.87 53.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -85.07 -10.57 56.75 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.609 0.719 . . . . 0.0 111.058 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -73.4 -17.82 61.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.13 -41.91 99.41 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.19 -34.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.9 -48.15 82.86 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.623 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -66.19 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.383 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -65.64 -41.71 92.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' HG22 ' A' ' 34' ' ' ILE . 5.9 tt -60.91 -42.88 98.92 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 123.746 0.818 . . . . 0.0 109.743 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.13 -35.55 74.16 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.794 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.9 t60 -71.96 -37.17 69.99 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.035 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.8 tt -69.14 -30.71 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.5 m -65.13 -37.5 87.65 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -64.61 -36.11 83.19 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.219 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 10.3 mm-40 -61.74 -36.12 80.07 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 34' ' ' ILE . 59.4 t -63.77 -44.28 98.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.75 -39.95 95.53 Favored 'General case' 0 C--O 1.266 1.922 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.191 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 12.5 t70 -62.05 -45.15 94.81 Favored 'General case' 0 N--CA 1.408 -2.545 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.175 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 29.1 mt -65.3 -35.9 82.43 Favored 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.5 -29.49 67.89 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.839 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -106.19 -12.22 15.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.839 176.109 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -108.66 -80.97 0.57 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.895 0.878 . . . . 0.0 113.022 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.93 91.32 0.14 Allowed Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.55 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 3.5 p-10 -93.82 -11.08 32.0 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -57.88 -45.62 86.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.74 -29.31 3.43 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.327 1.061 . . . . 0.0 111.096 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' A' ' 52' ' ' ARG . 36.9 mt-10 -61.57 -32.12 72.19 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 14.8 tptm -56.63 -49.3 75.39 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.721 0.772 . . . . 0.0 109.148 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.75 93.94 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.045 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 41.9 ttp180 -61.24 -43.98 98.0 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.878 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -63.59 -36.35 83.52 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.555 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 109' ' ' VAL . 82.7 mt -66.78 -34.67 78.34 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.938 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 67.7 ttt180 -61.35 -33.48 73.7 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.13 -37.51 81.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.216 0.532 . . . . 0.0 109.873 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.318 3.6 pp -73.37 -29.04 62.37 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.846 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.7 m -60.66 -42.14 96.44 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.99 -40.9 88.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.775 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 17.8 m -61.61 -46.01 91.65 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' HG22 ' A' ' 64' ' ' ILE . 10.5 pt-20 -67.84 -29.27 68.37 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.159 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.02 88.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.775 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.261 12.3 p90 -76.46 -32.13 58.21 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.861 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.453 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.96 -38.78 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.03 -40.92 82.79 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.31 -34.92 89.97 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.372 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 64.8 m -68.4 -35.36 77.55 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -69.95 -38.32 76.1 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.264 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.14 -29.0 73.71 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 174.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.563 ' HB3' ' O ' ' A' ' 67' ' ' SER . 29.4 t80 -68.85 -45.1 71.95 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.388 1.075 . . . . 0.0 108.327 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.09 -39.52 93.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.413 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.55 -37.48 73.16 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.955 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 9.8 mpt_? -69.51 -44.31 71.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.261 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 20.9 mm-40 -61.1 -29.79 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.019 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.35 -17.63 64.83 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.346 0.593 . . . . 0.0 110.622 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -100.73 -5.09 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.141 0.576 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' C ' ' H ' ' A' ' 79' ' ' ASP . 29.9 ttt180 -53.67 -27.7 29.13 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.892 1.277 . . . . 0.0 113.86 -175.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m 72.73 -37.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.521 1.128 . . . . 0.0 111.007 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 77' ' ' ARG . 6.9 t70 -84.54 68.44 10.32 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 122.454 1.121 . . . . 0.0 109.172 172.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -163.22 159.12 22.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -131.0 -170.38 2.35 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 174.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 83' ' ' LEU . 3.7 pp -55.31 -30.08 59.5 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 123.655 0.597 . . . . 0.0 111.725 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.5 tm? -58.98 -47.44 85.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.5 0.666 . . . . 0.0 109.516 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 14.0 mm-40 -70.36 -40.63 73.92 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.978 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 10.0 mtpm? -56.34 -42.9 78.49 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -58.34 -33.5 69.6 Favored 'General case' 0 C--O 1.205 -1.267 0 O-C-N 124.358 1.036 . . . . 0.0 111.62 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -74.48 -39.91 62.17 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 123.716 0.806 . . . . 0.0 109.9 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.623 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.6 m-85 -70.57 -48.69 54.08 Favored 'General case' 0 CA--C 1.472 -2.023 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 8.1 pt-20 -67.43 -30.51 70.27 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.92 78.2 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 118.245 -1.382 . . . . 0.0 109.545 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.39 68.61 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.156 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.3 mt -65.84 -41.46 91.71 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.801 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.55 63.13 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.5 m -66.23 -41.85 89.46 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.053 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.93 -37.37 92.13 Favored Glycine 0 C--O 1.198 -2.122 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.519 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 18.0 t70 -61.64 -47.59 84.7 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 122.856 0.462 . . . . 0.0 112.193 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 94' ' ' THR . 3.2 pp -66.12 -45.36 81.38 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.082 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.14 -27.78 63.81 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.167 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.6 tt -69.52 -37.53 77.17 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -64.73 -33.09 75.15 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.023 174.068 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -44.26 67.93 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.546 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.99 -47.14 78.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.529 0.732 . . . . 0.0 109.517 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.79 -48.82 77.49 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.91 87.41 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 120.693 0.282 . . . . 0.0 110.63 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.96 -34.02 71.03 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.35 -43.59 92.79 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -68.03 -32.87 73.54 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.188 175.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -69.08 -42.23 76.49 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.065 0.936 . . . . 0.0 109.98 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 105' ' ' LEU . 80.3 t -66.24 -44.72 91.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.694 177.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.32 -32.84 72.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 174.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 13.9 t70 -70.33 -33.88 72.0 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.846 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.432 -1.332 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.319 -176.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 121.26 0.553 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -65.62 -41.11 93.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.351 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.53 -38.0 89.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.403 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -66.79 -30.88 71.19 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.422 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 3.7 m-30 -84.3 -5.97 59.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.993 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.44 -19.58 60.92 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.92 -30.64 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.265 0.555 . . . . 0.0 110.462 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mm -78.34 -36.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.1 tp10 -59.89 -39.2 84.53 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.523 172.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -65.94 -39.69 90.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.563 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.7 m-85 -61.99 -41.6 98.22 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 121.013 0.435 . . . . 0.0 110.174 173.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.67 -35.32 77.62 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.262 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 51.7 mt -66.36 -45.54 79.8 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 42.4 t-80 -58.48 -45.92 87.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 113.803 -1.544 . . . . 0.0 110.79 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 38' ' ' VAL . 88.0 mt -62.26 -46.46 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 O-C-N 123.398 0.436 . . . . 0.0 110.21 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -66.03 -37.74 86.63 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -63.53 -35.67 81.26 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.733 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 22.1 mm-40 -70.83 -38.92 73.27 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 123.244 0.34 . . . . 0.0 110.724 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.702 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 21.2 t -60.98 -41.22 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 121.628 0.728 . . . . 0.0 109.085 172.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 29.2 t70 -65.37 -43.15 91.65 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 122.137 0.97 . . . . 0.0 110.59 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 14.5 t70 -69.21 -30.62 68.83 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.814 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.702 ' CD2' ' HA ' ' A' ' 38' ' ' VAL . 4.3 pp -69.92 -35.44 74.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.554 -0.717 . . . . 0.0 111.11 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 43.9 mt-10 -64.15 -31.03 72.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.094 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 40' ' ' ASP . 12.4 ptmm? -100.13 -22.49 15.16 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.3 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 86.1 m -153.25 -76.51 0.12 Allowed 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -164.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -93.43 64.38 1.91 Allowed Glycine 0 CA--C 1.489 -1.546 0 N-CA-C 115.061 0.785 . . . . 0.0 115.061 -166.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -103.74 18.59 21.59 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.51 -49.87 56.44 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.297 0.57 . . . . 0.0 111.475 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -150.27 -16.19 0.25 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.332 1.063 . . . . 0.0 109.889 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 22.1 mp0 -61.67 -35.86 79.2 Favored 'General case' 0 C--O 1.194 -1.834 0 C-N-CA 125.469 1.508 . . . . 0.0 112.54 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 1.8 tmmm? -63.19 -49.37 74.51 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.09 84.81 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.214 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.461 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' ILE . 40.9 tp -63.92 -37.58 87.93 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 87.4 mt -62.03 -33.29 74.09 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.16 0.505 . . . . 0.0 110.386 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 59' ' ' VAL . 40.3 mmt180 -68.39 -36.95 79.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.46 -37.63 86.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 4.1 pp -72.31 -29.97 64.35 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 119.964 -0.695 . . . . 0.0 110.772 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -61.62 -39.6 91.87 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-O 121.931 0.872 . . . . 0.0 108.789 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 55' ' ' ARG . 44.1 t -67.42 -40.44 84.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.793 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.845 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 21.5 t -59.89 -48.75 80.41 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.235 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HA ' HG23 ' A' ' 64' ' ' ILE . 12.6 pt-20 -64.49 -29.99 71.02 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.63 76.95 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.845 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.273 5.9 p90 -76.56 -32.49 58.2 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.993 -178.098 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 61' ' ' GLU . 14.8 tt -68.21 -34.51 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.308 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.01 -44.6 94.46 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.02 91.14 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.586 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -69.26 -43.63 73.55 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 110.012 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.98 -33.61 72.29 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.055 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.2 -30.18 77.18 Favored Glycine 0 N--CA 1.433 -1.502 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 173.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.38 -38.86 81.75 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 26.1 m-85 -63.52 -38.93 93.02 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.422 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -56.61 -43.11 79.84 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.45 0.469 . . . . 0.0 109.85 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.9 mpt_? -63.55 -41.96 98.41 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 6.3 mm-40 -64.47 -33.24 75.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.94 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.58 -16.09 63.75 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -103.47 -7.48 20.89 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.13 0.491 . . . . 0.0 111.229 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 74' ' ' GLU . 40.5 mmm-85 -62.03 -42.41 99.14 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m 77.79 -4.77 2.21 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.343 1.057 . . . . 0.0 109.072 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.24 -15.09 59.12 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.962 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -92.1 148.53 22.11 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.385 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -118.34 -162.43 0.89 Allowed 'General case' 1 C--N 1.232 -4.506 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 118.511 0.596 . . . . 0.0 110.472 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.1 -49.27 65.57 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.597 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 25.5 mp0 -70.44 -41.71 72.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.646 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -58.78 -37.77 77.04 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.122 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -65.52 -33.27 75.54 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -74.14 -38.59 63.7 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 124.441 1.096 . . . . 0.0 110.378 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.0 m-85 -70.59 -43.98 68.25 Favored 'General case' 0 CA--C 1.472 -2.041 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.75 -32.36 72.91 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.78 90.74 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.638 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.43 70.22 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.524 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.4 mt -58.63 -42.88 89.31 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 122.038 0.135 . . . . 0.0 110.688 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.01 -39.21 75.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.116 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.7 m -66.51 -43.66 84.69 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.985 0.898 . . . . 0.0 109.348 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' A' ' 64' ' ' ILE . . . -68.48 -41.32 85.17 Favored Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.337 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.32 -45.18 89.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.813 0.307 . . . . 0.0 110.481 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.69 -45.0 92.01 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.5 pp -71.4 -27.46 63.33 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.033 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.93 -38.56 79.6 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -66.11 -33.38 75.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.487 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.64 -35.93 67.89 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.833 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.9 mt -58.16 -48.16 81.14 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.301 0.64 . . . . 0.0 110.942 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HA ' HE21 ' A' ' 106' ' ' GLN . 22.3 pttp -71.81 -34.71 69.58 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.352 -0.939 . . . . 0.0 112.608 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.55 71.92 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.69 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -38.31 73.21 Favored 'General case' 0 C--O 1.189 -2.094 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' A' ' 103' ' ' LYS . 11.1 pt20 -65.13 -31.76 73.11 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.153 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -68.31 -35.33 77.65 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.345 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -67.62 -45.3 75.8 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 109.687 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.483 HG11 ' HD3' ' A' ' 50' ' ' LYS . 69.2 t -67.17 -38.05 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 C-N-CA 123.914 0.886 . . . . 0.0 111.363 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -60.3 -39.85 88.41 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.03 -30.34 65.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.135 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.103 -178.711 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 p -65.06 -30.67 71.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.059 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.601 ' HA ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm0? -62.15 -37.48 85.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.168 178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -80.22 -25.02 39.82 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.352 0.596 . . . . 0.0 110.378 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -97.31 12.75 31.96 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.601 ' CE1' ' HA ' ' A' ' 22' ' ' GLN . 32.8 m170 -61.8 -39.76 92.85 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.328 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.06 -35.44 78.65 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.116 0.484 . . . . 0.0 110.742 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -75.5 -35.04 31.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 109.461 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.7 tt0 -66.55 -35.06 79.31 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 98.8 mttt -61.77 -41.32 97.55 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.35 -42.51 87.07 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 123.377 0.423 . . . . 0.0 111.097 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 65.8 tp -58.1 -45.75 86.68 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.021 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 27.4 mt -65.93 -42.42 90.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -57.68 -44.33 85.71 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.595 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' VAL . 90.3 mt -63.41 -45.92 96.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -63.27 -42.54 99.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 121.475 0.655 . . . . 0.0 110.931 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.246 0.546 . . . . 0.0 110.153 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.31 -31.76 73.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 34' ' ' ILE . 82.7 t -62.48 -45.83 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.834 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.92 -44.33 93.25 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 121.974 0.892 . . . . 0.0 109.919 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.535 ' HA ' ' HZ2' ' A' ' 43' ' ' LYS . 16.1 t70 -61.66 -47.3 85.97 Favored 'General case' 0 C--O 1.191 -1.988 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.134 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 42' ' ' GLU . 4.3 pp -64.38 -35.19 80.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' N ' HD13 ' A' ' 41' ' ' LEU . 41.3 mt-10 -69.68 -25.41 63.88 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HZ2' ' HA ' ' A' ' 40' ' ' ASP 0.358 0.2 OUTLIER -99.21 -12.29 20.55 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 118.469 -1.292 . . . . 0.0 112.769 175.419 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.431 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 14.6 m -88.28 -31.18 19.13 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 125.289 1.435 . . . . 0.0 112.17 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.13 -62.62 0.26 Allowed Glycine 0 C--O 1.217 -0.964 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.131 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.272 2.5 p-10 67.58 29.08 7.28 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.443 1.897 . . . . 0.0 113.274 174.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB2' ' NZ ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -68.4 -49.87 56.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.83 0.824 . . . . 0.0 109.465 178.233 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.8 -14.49 4.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.596 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.79 -35.03 75.43 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 124.074 0.95 . . . . 0.0 111.582 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 109' ' ' VAL . 50.7 tptt -62.29 -50.39 71.86 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.508 0.67 . . . . 0.0 109.223 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.03 76.15 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.684 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -61.37 -39.54 91.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.516 0.726 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 tp -69.59 -36.54 76.33 Favored 'General case' 0 N--CA 1.42 -1.96 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.771 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 71.8 mt -62.3 -33.88 75.53 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.189 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -69.35 -33.8 73.63 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.19 -33.0 74.96 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.79 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.275 2.2 pp -74.57 -29.36 61.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.171 177.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 m -61.36 -35.97 78.92 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.01 -38.93 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.193 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.75 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 31.5 m -61.43 -48.47 81.03 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.489 0.662 . . . . 0.0 111.837 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.6 -29.15 69.71 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.417 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.69 96.82 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.047 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.75 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.336 14.9 p90 -72.47 -31.12 65.16 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.419 -1.312 . . . . 0.0 112.018 176.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.4 mm -59.74 -43.63 91.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.687 171.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.12 -40.34 95.58 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.963 0.411 . . . . 0.0 109.995 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.71 -47.81 89.36 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.252 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -70.59 -33.18 70.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 122.741 -0.27 . . . . 0.0 110.834 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.4 mtp180 -66.53 -46.98 74.33 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.855 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.01 70.35 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.44 -50.03 55.62 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.5 m-85 -65.19 -38.43 90.46 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.249 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.37 -33.68 76.42 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -64.5 -42.58 95.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.61 -30.2 71.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.221 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.37 -16.79 64.35 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.834 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.54 -6.62 13.94 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.19 -29.0 70.43 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.684 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.1 m 80.11 -22.01 0.3 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.419 1.088 . . . . 0.0 110.141 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.16 71.42 10.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.677 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.466 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.5 pt? -160.75 152.63 19.85 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -116.33 172.62 7.08 Favored 'General case' 0 C--N 1.251 -3.693 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.06 -29.84 61.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.708 0.685 . . . . 0.0 109.845 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -50.14 74.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.482 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.466 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 41.0 mt-10 -72.34 -40.1 67.66 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.83 -176.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.16 -40.12 73.4 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.62 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.96 -32.79 74.45 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.78 0.675 . . . . 0.0 111.589 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.25 -37.7 63.68 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 123.597 0.759 . . . . 0.0 109.178 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.702 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.8 m-85 -70.56 -49.31 49.38 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.319 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.11 -31.73 72.76 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.71 72.97 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 117.695 -1.602 . . . . 0.0 110.467 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.53 72.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 88.9 mt -59.13 -40.25 84.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.757 0.313 . . . . 0.0 110.162 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.517 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.34 -33.35 65.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.02 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.6 m -71.8 -40.66 69.02 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.43 89.93 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.241 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 20.2 t70 -63.47 -49.07 75.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 120.752 0.311 . . . . 0.0 110.624 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 82.1 mt -60.21 -46.96 87.97 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 pp -71.16 -27.56 63.63 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.907 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.53 -38.76 84.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 1.2 mptm? -69.34 -31.12 69.35 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.728 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' HD13 ' A' ' 31' ' ' LEU . 13.9 t70 -69.36 -40.43 77.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.1 mt -55.99 -48.57 75.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.242 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.15 -39.67 87.18 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.088 0.955 . . . . 0.0 111.154 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.4 -41.46 72.96 Favored 'General case' 0 C--O 1.255 1.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.358 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.45 -33.28 71.1 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 23.6 tt0 -57.9 -46.59 84.69 Favored 'General case' 0 C--O 1.196 -1.712 0 C-N-CA 123.39 0.676 . . . . 0.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 4.0 mptp? -68.17 -33.23 74.06 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.084 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -63.08 -50.58 70.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.459 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 98.6 t -66.74 -44.12 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.658 -176.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 4.0 pt20 -65.38 -31.75 73.02 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.105 0.479 . . . . 0.0 111.637 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -77.74 -27.8 50.54 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.661 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 CA--C 1.551 0.981 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -176.18 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 121.723 0.773 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -28.61 65.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.978 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.84 -40.55 96.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.21 -40.8 97.31 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -103.91 18.42 22.03 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.09 -26.02 68.04 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.707 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 10.2 pt-20 -62.07 -41.11 97.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 110.628 175.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 12.7 mm -77.42 -35.8 22.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.505 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.06 -36.6 83.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.618 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 15.4 m-85 -65.47 -45.61 83.03 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.71 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 85.8 mt -58.19 -45.93 86.7 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.278 0.362 . . . . 0.0 111.005 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.23 -35.8 80.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.367 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 30.9 t60 -67.84 -45.14 75.47 Favored 'General case' 0 C--O 1.208 -1.084 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.52 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.476 ' O ' HG21 ' A' ' 38' ' ' VAL . 71.7 mt -63.25 -36.58 76.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 122.931 0.492 . . . . 0.0 111.416 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -64.67 -39.62 94.0 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.45 -31.48 71.69 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.513 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.0 mm-40 -65.17 -31.52 72.75 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.806 0.442 . . . . 0.0 110.524 173.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.5 t -65.95 -37.67 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -68.36 -35.2 77.38 Favored 'General case' 0 C--O 1.257 1.493 0 CA-C-O 121.704 0.764 . . . . 0.0 110.225 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.83 -42.38 98.96 Favored 'General case' 0 C--O 1.188 -2.16 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 3.9 pp -68.59 -33.57 74.28 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 121.158 0.504 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.3 -24.69 67.74 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.065 0.46 . . . . 0.0 110.718 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.24 16.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.209 -0.932 . . . . 0.0 112.744 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -109.94 -41.01 4.6 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.213 1.005 . . . . 0.0 111.248 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.62 -78.82 0.33 Allowed Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 -175.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.539 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 12.6 m120 50.51 49.03 21.55 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.571 1.148 . . . . 0.0 111.88 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.1 -35.57 79.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.37 -25.51 11.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.522 0.677 . . . . 0.0 110.005 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.615 ' OE2' ' HD2' ' A' ' 52' ' ' ARG . 5.5 tp10 -67.8 -35.51 78.78 Favored 'General case' 0 C--O 1.2 -1.517 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.222 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.0 ttpp -55.52 -49.52 72.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.006 0.431 . . . . 0.0 111.197 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.02 79.87 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.022 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.615 ' HD2' ' OE2' ' A' ' 49' ' ' GLU . 44.4 ttm105 -67.15 -40.03 86.63 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.308 0.575 . . . . 0.0 109.472 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.55 -36.79 76.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.311 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.6 mt -64.62 -33.43 75.92 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' THR . 29.0 mmm180 -69.69 -27.87 65.37 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.496 0.665 . . . . 0.0 109.626 176.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' O ' HG13 ' A' ' 59' ' ' VAL . 38.3 tt0 -70.15 -33.36 71.69 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.398 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.279 3.8 pp -70.81 -30.06 66.4 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 118.662 -1.215 . . . . 0.0 109.709 174.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.6 m -61.53 -35.27 77.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.703 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -71.79 -39.54 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 118.297 -1.361 . . . . 0.0 110.256 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.765 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 p -62.14 -29.22 70.19 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.89 1.328 . . . . 0.0 110.798 175.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 58' ' ' THR . 21.1 tt0 -66.03 -39.39 90.15 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 112.569 -2.105 . . . . 0.0 108.193 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.01 85.19 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.936 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.765 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.8 m-85 -61.95 -41.71 98.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.31 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.61 -49.52 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.483 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.73 -40.98 92.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.994 -174.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.73 96.66 Favored Glycine 0 C--O 1.243 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 50.8 m -69.59 -31.48 69.66 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 115.131 -0.535 . . . . 0.0 110.258 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -67.55 -38.13 83.7 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.465 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.515 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.37 -28.49 73.75 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 174.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 67' ' ' SER . 63.3 t80 -64.65 -46.2 83.51 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -64.67 -39.18 93.22 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.435 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -55.29 -41.07 71.81 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.265 0.353 . . . . 0.0 110.467 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.4 mpt_? -68.32 -37.01 80.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.88 -30.63 71.7 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.261 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.53 -16.47 63.44 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.169 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.77 -6.66 23.38 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.361 0.601 . . . . 0.0 109.715 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' NE ' ' HB2' ' A' ' 79' ' ' ASP . 76.8 ttt180 -65.1 -32.56 74.32 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.094 0.957 . . . . 0.0 111.785 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.4 m 79.03 -26.17 0.18 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.088 0.955 . . . . 0.0 110.655 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' HB2' ' NE ' ' A' ' 77' ' ' ARG . 12.9 m-20 -82.58 59.02 4.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.177 0.513 . . . . 0.0 110.121 175.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -156.77 150.74 24.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 82' ' ' LEU . 22.1 t70 -128.22 -167.94 1.83 Allowed 'General case' 0 C--N 1.264 -3.127 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 173.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' H ' ' CG ' ' A' ' 81' ' ' ASP . 83.2 mt -58.77 -31.27 68.21 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-N 118.783 0.72 . . . . 0.0 111.404 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.75 -49.76 67.26 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 121.586 0.708 . . . . 0.0 112.223 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.79 -39.36 69.95 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.305 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 4.2 tmmm? -63.74 -36.67 84.63 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.565 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -65.28 -33.7 76.6 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.19 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -75.38 -34.04 61.07 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 85' ' ' LYS . 8.9 m-85 -71.7 -39.01 70.48 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -65.45 -33.47 76.01 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.59 65.99 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.214 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.34 -42.46 88.1 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.47 -40.69 87.75 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 122.6 0.36 . . . . 0.0 110.999 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.43 -28.19 63.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.197 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -70.18 -49.65 48.21 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.44 -42.88 88.71 Favored Glycine 0 N--CA 1.422 -2.234 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.155 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.26 -41.12 94.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.917 0.358 . . . . 0.0 111.906 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.44 -43.93 76.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.805 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.48 -26.91 63.83 Favored 'General case' 0 C--O 1.194 -1.841 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.053 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.93 -41.3 97.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -70.38 -31.69 69.04 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 114.164 -1.38 . . . . 0.0 109.935 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.26 -33.52 63.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.447 0.641 . . . . 0.0 110.087 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.4 -49.54 77.16 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.456 1.502 . . . . 0.0 109.505 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 59.5 mtpt -69.39 -28.25 66.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.35 69.49 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.075 0.464 . . . . 0.0 110.521 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.25 -34.31 72.68 Favored 'General case' 0 C--O 1.191 -1.981 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -58.99 -44.59 91.64 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.179 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.7 mmtt -66.93 -34.31 77.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -67.5 -46.06 74.0 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' LEU . 49.1 t -71.62 -38.64 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.074 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -59.17 -44.59 92.15 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.964 0.888 . . . . 0.0 109.573 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.72 -43.87 65.14 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 114.011 -1.45 . . . . 0.0 109.276 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 125.765 1.626 . . . . 0.0 114.578 169.464 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.805 0 CA-C-O 121.502 0.668 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -51.46 67.25 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.099 -176.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.81 -34.65 77.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.198 0.523 . . . . 0.0 110.956 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -61.84 -30.79 71.08 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.381 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -104.24 -6.32 21.05 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.79 -1.164 . . . . 0.0 112.637 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.555 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 30.4 t-80 -61.84 -38.33 87.82 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.44 -29.97 70.9 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.896 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.52 -34.46 14.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 44.9 tt0 -60.7 -46.66 89.52 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.698 0.761 . . . . 0.0 109.656 175.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 8.4 ptmm? -67.03 -35.46 79.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.134 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.408 ' O ' HG13 ' A' ' 34' ' ' ILE . 39.8 t80 -58.85 -42.45 89.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 6.5 tt -58.09 -47.19 83.96 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 124.452 1.101 . . . . 0.0 109.918 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.2 pp -66.77 -34.78 78.59 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.428 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -60.26 -36.16 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.14 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 38' ' ' VAL . 72.1 mt -65.14 -45.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -60.54 -45.28 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-O 121.042 0.449 . . . . 0.0 110.066 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -63.96 -31.83 73.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.149 0.5 . . . . 0.0 111.394 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.42 -32.19 69.69 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.725 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 34' ' ' ILE . 94.8 t -63.12 -42.54 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.07 -34.54 78.31 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.455 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.33 -47.69 59.9 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.116 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -66.95 -33.86 76.5 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.083 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.79 -42.97 94.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.643 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -12.34 52.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.166 0.984 . . . . 0.0 110.932 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.7 m -91.55 -47.3 7.49 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.099 -1.41 . . . . 0.0 113.575 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.61 -28.63 0.18 Allowed Glycine 0 C--O 1.218 -0.876 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.716 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 58.56 26.91 14.95 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 125.744 1.617 . . . . 0.0 111.941 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -56.18 -50.69 70.5 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.903 -172.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.56 -15.45 0.17 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.913 0.863 . . . . 0.0 110.616 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -35.77 76.19 Favored 'General case' 0 C--O 1.186 -2.274 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.346 -173.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 21.6 tttm -62.7 -49.16 76.19 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.99 87.05 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.642 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -63.11 -44.34 95.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.194 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.43 -34.96 79.12 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.298 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 69.7 mt -65.39 -34.55 78.56 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.424 0.63 . . . . 0.0 109.541 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.6 mmt180 -70.36 -26.4 63.71 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.393 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.13 -32.57 67.06 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.166 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.2 pp -72.45 -30.94 65.03 Favored 'General case' 0 C--O 1.206 -1.226 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.627 174.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.7 m -66.78 -35.49 80.2 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.607 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 55' ' ' ARG . 87.1 t -60.5 -38.83 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.5 m -64.65 -42.97 95.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.537 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 42.6 mt-10 -59.13 -38.03 78.65 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.12 174.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.82 82.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.742 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.825 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.323 6.9 p90 -73.01 -31.07 64.24 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 118.147 -1.421 . . . . 0.0 111.986 177.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 18.7 mm -58.48 -50.24 79.49 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.188 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.11 -44.86 94.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.911 0.484 . . . . 0.0 111.7 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.43 95.72 Favored Glycine 0 C--O 1.24 0.471 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.649 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 m -70.77 -31.62 68.47 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.554 0.693 . . . . 0.0 109.184 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 58.8 ttt180 -66.59 -46.37 76.18 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.453 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.649 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -68.72 -23.38 75.59 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.28 -46.63 60.42 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 26.9 m-85 -65.47 -39.95 92.56 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.78 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 6.5 tp-100 -54.34 -43.28 71.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.879 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.2 mpt_? -65.32 -37.8 88.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 32.9 mt-10 -64.4 -36.19 83.36 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 176.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.66 -20.74 66.41 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.167 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 74.6 mmtt -82.52 -17.2 45.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 10.5 mmm180 -65.92 -55.19 18.17 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m 73.11 -4.2 2.24 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.576 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.71 -22.4 66.97 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.059 0.933 . . . . 0.0 109.996 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' CD1' ' H ' ' A' ' 80' ' ' LEU . 4.8 mp -43.39 171.12 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 128.838 2.855 . . . . 0.0 113.908 172.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.48 170.44 14.21 Favored 'General case' 1 C--N 1.236 -4.35 0 CA-C-N 110.11 -3.223 . . . . 0.0 104.489 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.62 -31.02 61.92 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.553 1.141 . . . . 0.0 110.679 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.29 -49.09 62.89 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.15 77.78 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.441 -177.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.447 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 71.4 t80 -64.3 -35.27 80.32 Favored 'General case' 0 C--O 1.2 -1.53 0 CA-C-O 120.867 0.365 . . . . 0.0 111.671 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -75.0 -32.62 61.7 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 123.512 0.725 . . . . 0.0 110.731 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.0 m-85 -73.76 -46.2 47.14 Favored 'General case' 0 CA--C 1.46 -2.49 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.4 pt-20 -67.51 -30.95 70.76 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.06 90.69 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.314 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.19 71.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.421 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -63.14 -35.59 80.8 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.82 -39.2 73.18 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.171 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.1 m -71.79 -41.64 68.08 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-O 121.66 0.743 . . . . 0.0 109.111 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 -41.14 96.16 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.189 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.623 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 25.6 t70 -64.21 -42.61 96.54 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 88.4 mt -64.39 -47.4 79.37 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.352 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -71.51 -27.94 63.56 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.34 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.99 -45.46 77.52 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 11.1 ptmm? -66.65 -32.8 74.35 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.52 177.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.38 -30.89 60.31 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 119.335 -0.946 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.3 mt -60.11 -50.54 73.3 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.16 0.584 . . . . 0.0 109.859 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 16.5 ptmt -71.64 -27.41 63.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.403 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.16 71.04 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 121.224 0.535 . . . . 0.0 110.148 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.04 -34.33 73.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' NE2' HD12 ' A' ' 57' ' ' LEU . 35.5 tt0 -60.08 -37.69 80.69 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.1 mmtt -65.18 -35.06 79.89 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.4 -46.82 68.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 121.358 0.599 . . . . 0.0 110.046 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.8 t -65.02 -39.29 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.21 -43.25 99.26 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.992 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.09 -35.63 81.36 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.216 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 123.539 0.735 . . . . 0.0 111.566 -177.242 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.812 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 p -65.1 -36.8 85.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -68.72 -34.75 76.16 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -63.93 -32.41 73.93 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.731 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 21.4 m-85 -113.23 36.28 3.61 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.66 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -77.57 -38.34 48.6 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.777 0.798 . . . . 0.0 109.679 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.88 -34.54 73.69 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.906 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.87 -40.79 86.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -60.28 -43.14 96.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.751 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.42 -44.57 96.1 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.63 -48.3 82.4 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 123.052 0.22 . . . . 0.0 111.453 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.7 -45.22 89.99 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 123.052 0.22 . . . . 0.0 110.467 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.85 -35.66 74.9 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.294 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 43.9 t-80 -60.5 -50.75 72.31 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.574 ' O ' HG21 ' A' ' 38' ' ' VAL . 96.5 mt -63.79 -45.39 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.741 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.418 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 20.9 m -63.32 -42.41 99.0 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-O 121.522 0.677 . . . . 0.0 110.065 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 13.7 t60 -70.62 -31.56 68.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.483 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 42.4 mm-40 -65.92 -31.58 72.6 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.564 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 34' ' ' ILE . 63.4 t -60.34 -40.61 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 53.1 m-20 -61.47 -41.77 97.75 Favored 'General case' 0 C--O 1.259 1.577 0 CA-C-O 122.176 0.988 . . . . 0.0 109.762 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.32 -47.64 67.01 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.237 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.2 pp -68.95 -33.83 74.36 Favored 'General case' 0 N--CA 1.424 -1.764 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.098 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.56 -33.87 76.93 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -11.82 49.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.154 0.978 . . . . 0.0 110.562 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.49 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 6.3 m -93.06 -47.27 7.06 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.523 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -27.07 2.86 Favored Glycine 0 C--N 1.308 -0.978 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.37 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 56.4 37.38 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.018 1.727 . . . . 0.0 113.302 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -56.08 -24.27 39.0 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -156.4 -21.13 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.614 0.721 . . . . 0.0 110.581 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -61.4 -37.43 83.42 Favored 'General case' 0 C--O 1.193 -1.883 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.027 -173.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.9 ttpp -68.36 -50.67 51.5 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.369 -0.932 . . . . 0.0 112.764 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.17 81.0 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.762 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 75.7 ttt180 -67.29 -40.11 86.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 34' ' ' ILE . 41.4 tp -65.02 -35.63 81.81 Favored 'General case' 0 N--CA 1.424 -1.727 0 C-N-CA 123.131 0.572 . . . . 0.0 110.975 175.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 89.9 mt -63.13 -32.64 74.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.819 0.818 . . . . 0.0 109.843 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' HG22 ' A' ' 59' ' ' VAL . 43.7 ttm180 -68.41 -35.06 77.1 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.669 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.6 -40.07 95.75 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.5 pp -71.0 -31.78 68.4 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.668 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.7 m -62.43 -42.41 99.43 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.997 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 55' ' ' ARG . 57.6 t -66.57 -41.72 88.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.815 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.4 m -60.48 -40.26 90.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.029 0.919 . . . . 0.0 110.979 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HG3' ' HE3' ' A' ' 103' ' ' LYS . 2.0 tm-20 -66.1 -32.1 73.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.53 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.43 70.64 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.497 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.815 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.367 6.3 p90 -76.52 -30.7 57.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 118.63 -1.228 . . . . 0.0 112.807 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -66.63 -34.76 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.74 -38.67 89.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.306 0.574 . . . . 0.0 109.459 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.31 90.2 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.95 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -70.44 -32.0 69.4 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.492 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -67.03 -43.27 83.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.077 0.465 . . . . 0.0 109.904 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.64 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.95 -23.98 69.79 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.29 -48.21 57.69 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -65.45 -39.36 91.94 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.209 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.0 -42.0 79.48 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.853 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.64 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 10.6 mpt_? -65.8 -39.01 90.5 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.673 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.99 -33.56 74.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.817 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.39 -19.67 65.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.925 0.393 . . . . 0.0 111.329 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -108.14 -5.84 16.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.28 0.562 . . . . 0.0 110.495 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' C ' ' H ' ' A' ' 79' ' ' ASP . 58.4 ttt180 -67.93 -24.41 65.19 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.389 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.5 m 77.46 -31.23 0.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.36 1.064 . . . . 0.0 110.349 -172.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 77' ' ' ARG . 1.1 m-20 -77.59 68.06 3.61 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.402 0.62 . . . . 0.0 111.11 173.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.6 pt? -160.58 146.53 15.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.954 175.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -108.19 171.59 7.32 Favored 'General case' 0 C--N 1.251 -3.678 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 83' ' ' LEU . 4.3 pp -53.89 -30.23 45.1 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 118.398 0.545 . . . . 0.0 110.559 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 82' ' ' LEU 0.266 13.9 tp -61.28 -49.3 77.6 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.991 0.901 . . . . 0.0 111.705 177.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 40.0 mt-10 -71.24 -40.46 71.03 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.439 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 88.1 tttt -58.02 -37.89 75.16 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.64 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.51 -39.76 92.18 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.555 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.51 -35.04 63.18 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.633 0.773 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 7.9 m-85 -69.47 -44.96 70.12 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 41.8 mt-10 -68.04 -32.18 72.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.47 79.8 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.479 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -68.85 -43.87 74.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.024 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 93.1 mt -56.52 -41.64 77.07 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.127 0.171 . . . . 0.0 110.699 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' HD21 ' A' ' 97' ' ' LEU . . . -71.22 -33.3 69.76 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.1 m -69.06 -48.68 62.16 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -64.89 -45.41 92.57 Favored Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.4 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.04 -44.77 94.42 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 93' ' ' ALA . 1.5 pp -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.039 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 4.5 pp -71.2 -26.77 63.09 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.558 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -68.81 -41.78 78.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -68.49 -32.85 73.13 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.291 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.4 -37.28 74.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.411 0.624 . . . . 0.0 110.168 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.65 -48.63 80.91 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 125.77 1.628 . . . . 0.0 109.237 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.439 ' HE3' ' HG3' ' A' ' 61' ' ' GLU . 30.3 mmtp -69.2 -33.37 73.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.4 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.99 -39.08 83.32 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.436 0.636 . . . . 0.0 109.518 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -70.3 -33.23 71.29 Favored 'General case' 0 C--O 1.181 -2.532 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' NE2' HD13 ' A' ' 57' ' ' LEU . 28.3 tt0 -58.22 -47.69 82.7 Favored 'General case' 0 C--O 1.195 -1.813 0 CA-C-O 119.093 -0.479 . . . . 0.0 111.481 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.04 -32.46 73.95 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.383 0.611 . . . . 0.0 110.772 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 63.2 ttt180 -66.55 -50.02 64.54 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.487 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 112' ' ' SER . 66.2 t -70.74 -37.51 69.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 121.627 0.727 . . . . 0.0 111.727 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -55.88 -38.54 70.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.923 0.889 . . . . 0.0 109.312 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.54 -48.76 10.63 Favored 'General case' 0 N--CA 1.432 -1.346 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.103 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 109' ' ' VAL . 12.6 t . . . . . 0 N--CA 1.48 1.06 0 C-N-CA 126.404 1.882 . . . . 0.0 114.473 172.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 120.785 0.326 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -66.74 -43.28 84.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -36.35 83.62 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.563 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.66 -31.0 71.4 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.802 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -85.95 -8.62 57.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 0.0 111.318 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.98 -22.3 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 20.1 mm-40 -68.24 -31.7 71.37 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.881 0.848 . . . . 0.0 109.143 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 mm -80.52 -34.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.48 -44.77 92.95 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.468 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 62.8 pttt -66.34 -36.96 84.24 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.082 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' O ' HG13 ' A' ' 34' ' ' ILE . 5.8 m-85 -59.38 -43.46 92.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.398 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.91 -47.19 83.54 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 122.942 0.497 . . . . 0.0 110.596 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.78 -35.82 75.21 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.343 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.3 t60 -60.36 -47.02 87.85 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.478 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.578 ' O ' HG21 ' A' ' 38' ' ' VAL . 96.1 mt -62.34 -46.21 96.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 123.178 0.299 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 m -60.7 -37.53 81.97 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 121.347 0.594 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -67.45 -38.47 84.54 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 18.6 mm-40 -63.91 -32.94 74.65 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 34' ' ' ILE . 42.0 t -64.67 -46.39 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.09 -39.0 92.56 Favored 'General case' 0 C--O 1.27 2.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 11.2 t70 -63.96 -47.29 80.99 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.212 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.4 pp -67.54 -34.69 77.59 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 5.2 mm-40 -61.55 -27.56 68.71 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -102.24 -28.58 12.2 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 116.452 -2.099 . . . . 0.0 110.673 174.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -69.73 -35.7 75.22 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.999 0.92 . . . . 0.0 113.039 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.6 -56.57 0.18 Allowed Glycine 0 C--N 1.313 -0.709 0 C-N-CA 119.062 -1.542 . . . . 0.0 114.366 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 64.6 t30 74.9 29.08 1.04 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.894 1.278 . . . . 0.0 108.319 -176.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.85 -50.61 61.98 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.667 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -152.1 13.42 0.59 Allowed 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 123.257 1.503 . . . . 0.0 107.215 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -72.13 -35.64 69.16 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 111.767 -2.469 . . . . 0.0 110.725 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 5.6 tptm -63.59 -49.08 74.76 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.81 86.28 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.73 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -59.78 -45.63 91.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.873 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.8 tp -70.07 -32.98 71.34 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-O 121.321 0.582 . . . . 0.0 111.648 -177.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 51.4 mt -67.53 -32.41 73.18 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.962 0.886 . . . . 0.0 110.155 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -67.76 -36.64 80.88 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.1 tp10 -62.54 -40.67 97.55 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.623 176.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 34' ' ' ILE . 2.4 pp -70.38 -30.1 66.92 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.515 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 m -62.06 -36.0 80.31 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -38.42 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.838 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -59.88 -42.51 93.92 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.603 0.716 . . . . 0.0 110.36 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 6.9 tp10 -59.17 -40.07 84.47 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.028 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.13 99.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.186 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.378 7.1 p90 -75.16 -31.63 61.07 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.415 -1.314 . . . . 0.0 113.154 177.011 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -61.67 -42.34 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.218 171.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 54.8 mt-10 -55.34 -45.92 76.4 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.347 0.404 . . . . 0.0 110.469 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.14 96.48 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.612 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 -39.9 68.42 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -69.6 -44.05 71.52 Favored 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.65 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -61.33 -28.59 69.59 Favored Glycine 0 N--CA 1.413 -2.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.373 177.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.3 t80 -67.86 -51.75 44.7 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.1 m-85 -61.32 -38.81 88.23 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.597 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.32 -34.68 75.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.65 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.3 mtp180 -69.15 -36.85 77.86 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.468 0.651 . . . . 0.0 109.444 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 13.6 mm-40 -65.66 -30.17 70.83 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.855 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.57 -15.35 63.2 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.224 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 21.1 ptmt -109.08 -5.57 15.95 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 79' ' ' ASP . 11.2 mtm180 -62.16 -18.81 62.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m 73.33 -33.18 0.26 Allowed 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 124.446 1.098 . . . . 0.0 111.217 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 77' ' ' ARG . 18.7 t70 -55.15 -34.3 63.68 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 126.741 2.016 . . . . 0.0 112.914 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.615 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -72.02 156.98 38.63 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.753 1.264 . . . . 0.0 110.193 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.403 ' OD1' ' HG ' ' A' ' 82' ' ' LEU . 13.8 t70 -126.18 -173.7 2.92 Favored 'General case' 1 C--N 1.239 -4.201 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 174.4 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HG ' ' OD1' ' A' ' 81' ' ' ASP . 3.3 pp -57.93 -29.16 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.98 -50.73 72.2 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 123.519 0.512 . . . . 0.0 111.604 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.615 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 45.9 mt-10 -72.46 -41.33 66.2 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.74 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.38 -36.54 73.68 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.924 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.414 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 87.1 t80 -64.71 -33.08 75.12 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 121.927 0.87 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -74.44 -38.02 63.12 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 124.989 1.316 . . . . 0.0 108.997 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.3 m-85 -72.65 -44.78 61.42 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.318 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 13.3 pt-20 -65.91 -32.3 73.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.46 80.41 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.58 74.17 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.492 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.9 mt -59.63 -40.58 88.09 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 122.386 0.274 . . . . 0.0 110.391 178.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.489 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.71 -31.71 68.67 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.37 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -68.98 -45.46 70.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.79 -39.64 89.87 Favored Glycine 0 N--CA 1.423 -2.232 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.662 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.12 -38.45 78.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 117.277 0.539 . . . . 0.0 110.925 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.2 mt -69.32 -43.38 73.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.955 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.97 -31.17 67.64 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.339 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.1 tt -65.11 -39.83 93.67 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HZ3' ' HB2' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -72.15 -32.02 66.49 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.14 179.182 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.5 -31.2 62.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 118.018 -1.473 . . . . 0.0 108.766 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 3.1 tm? -59.86 -50.02 75.44 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.024 1.73 . . . . 0.0 108.869 177.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 34.2 mmtp -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.53 70.83 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -70.57 -35.38 73.03 Favored 'General case' 0 C--O 1.187 -2.234 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 29.7 tt0 -65.62 -37.06 85.51 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 123.327 0.392 . . . . 0.0 110.141 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.0 mmtt -66.62 -35.33 79.93 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 105' ' ' LEU . 77.0 mtm180 -67.91 -39.75 83.53 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.66 -40.57 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.053 0.454 . . . . 0.0 110.948 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 28.0 mm-40 -63.08 -40.6 98.14 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.24 -16.28 60.96 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.991 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.319 -0.722 0 CA-C-O 121.331 0.586 . . . . 0.0 109.548 175.618 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C--O 1.241 0.646 0 CA-C-O 121.228 0.537 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 p -71.77 -34.9 69.84 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.05 -38.14 78.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.094 0.958 . . . . 0.0 109.697 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 1.3 tpm_? -62.69 -48.25 80.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.471 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -97.75 12.3 34.27 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.143 -1.023 . . . . 0.0 112.451 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 37.1 t-80 -68.75 -33.29 73.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.075 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 36.4 mt-10 -62.69 -42.33 99.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.783 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -69.55 -34.07 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.596 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 25' ' ' HIS . 18.8 tt0 -58.65 -45.63 88.9 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.436 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HD3' ' CE1' ' A' ' 25' ' ' HIS . 19.4 mmmt -66.08 -38.81 89.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.288 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 17.3 m-85 -58.45 -48.31 81.16 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 175.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.71 -42.65 99.23 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -70.05 -38.45 75.81 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.961 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' N ' HD11 ' A' ' 32' ' ' LEU . 8.7 t-160 -63.67 -41.68 98.15 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.014 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 38' ' ' VAL . 62.2 mt -65.12 -43.33 95.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 C-N-CA 123.03 0.532 . . . . 0.0 111.246 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -62.17 -41.7 98.57 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 121.504 0.669 . . . . 0.0 109.423 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -66.48 -37.95 86.22 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.571 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.4 tp10 -60.51 -45.02 95.35 Favored 'General case' 0 C--O 1.188 -2.135 0 C-N-CA 124.321 1.048 . . . . 0.0 108.975 178.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 34' ' ' ILE . 87.7 t -58.64 -40.83 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 C-N-CA 124.172 0.989 . . . . 0.0 109.521 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 13.6 t70 -68.2 -38.27 81.79 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.034 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.44 -30.05 61.73 Favored 'General case' 0 C--O 1.192 -1.954 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.634 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 50.3 mt -68.32 -40.8 81.51 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 34.9 tt0 -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.344 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -87.74 -15.8 36.01 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.621 1.569 . . . . 0.0 110.717 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -113.0 -50.47 2.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.03 -65.44 0.05 OUTLIER Glycine 0 C--N 1.294 -1.801 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t30 72.32 18.47 4.62 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 122.651 1.215 . . . . 0.0 108.874 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HB2' ' NZ ' ' A' ' 47' ' ' LYS . 7.3 mtmp? -67.71 -49.8 60.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.446 -175.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.83 -23.47 0.94 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.423 -171.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.94 -36.11 78.48 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD3' ' CG1' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -62.2 -47.44 84.46 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -177.57 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.39 96.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.143 0.497 . . . . 0.0 110.748 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -68.24 -38.61 81.99 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.801 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.02 -37.29 86.91 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.018 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.44 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -65.39 -33.41 75.9 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.504 0.669 . . . . 0.0 111.068 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 59' ' ' VAL . 19.2 mtp180 -66.23 -36.23 82.47 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -64.73 -35.65 81.75 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.136 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' HA ' ' OG ' ' A' ' 60' ' ' SER 0.321 2.8 pp -74.13 -30.81 62.48 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 119.12 -1.032 . . . . 0.0 111.199 174.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 11.3 m -62.53 -34.97 77.97 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-O 121.966 0.888 . . . . 0.0 109.314 175.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 55' ' ' ARG . 60.0 t -71.16 -45.86 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.241 176.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.771 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 2.6 p -62.7 -29.68 70.84 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 122.697 1.237 . . . . 0.0 111.364 176.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 58' ' ' THR . 35.0 tt0 -65.15 -40.72 94.78 Favored 'General case' 0 C--N 1.28 -2.425 0 CA-C-N 112.702 -2.044 . . . . 0.0 108.184 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.13 71.08 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.956 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.771 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.4 m-85 -67.07 -42.94 83.85 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.63 -50.84 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 123.172 0.295 . . . . 0.0 110.542 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.63 -41.81 83.3 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.96 87.89 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.33 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.6 t -70.21 -32.3 70.13 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' NH1' ' HB2' ' A' ' 96' ' ' ASP . 14.7 mtp180 -69.04 -34.04 74.56 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.772 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -66.41 -27.0 72.81 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 173.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 67' ' ' SER . 48.4 t80 -69.99 -46.38 65.28 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -62.89 -38.38 90.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.399 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 96.6 mt-30 -59.54 -38.76 81.9 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.0 mmm180 -69.47 -33.25 72.63 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.15 0.5 . . . . 0.0 110.073 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.72 -31.96 72.25 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.402 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.6 mt -71.12 -15.94 62.53 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 31.1 mmmt -93.31 -6.55 47.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 0.0 110.56 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 79' ' ' ASP . 47.9 mtp180 -56.28 -40.28 74.01 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m 74.11 -38.24 0.39 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.386 1.074 . . . . 0.0 109.259 -171.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 77' ' ' ARG . 29.9 t70 -86.72 77.1 9.39 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.824 0.821 . . . . 0.0 109.675 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -151.15 157.91 43.31 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -130.11 -178.29 4.67 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.17 -31.04 61.05 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 118.566 0.621 . . . . 0.0 110.989 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.64 -48.47 79.37 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 123.938 0.895 . . . . 0.0 112.154 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 12.8 mm-40 -70.4 -45.07 66.67 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.992 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -56.13 -38.24 70.55 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.068 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.44 -36.73 85.11 Favored 'General case' 0 C--O 1.187 -2.202 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -73.7 -35.42 65.13 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 122.798 0.439 . . . . 0.0 110.427 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.673 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.0 m-85 -75.52 -46.29 33.07 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.86 -31.67 72.44 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.44 -40.88 73.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.567 -1.253 . . . . 0.0 110.371 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.56 69.64 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.478 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 78.8 mt -58.88 -43.18 90.86 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -68.17 -36.9 80.35 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.436 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.8 m -68.92 -46.43 68.31 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.07 -43.95 96.52 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.904 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.49 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 37.8 t70 -66.52 -37.55 85.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.129 0.464 . . . . 0.0 111.867 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 70.5 mt -64.76 -49.47 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.7 -27.32 63.9 Favored 'General case' 0 C--O 1.191 -1.981 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.244 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.95 -41.98 77.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' LEU . 18.1 ptmt -71.27 -31.85 67.98 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.42 -33.09 69.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.308 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.72 -50.31 74.0 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.331 1.452 . . . . 0.0 109.649 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -61.63 -39.54 91.69 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.42 78.54 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -36.89 74.05 Favored 'General case' 0 C--O 1.172 -3.007 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.43 -44.63 95.57 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.232 0.613 . . . . 0.0 111.637 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.72 -33.65 76.1 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.366 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -69.1 -46.55 67.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.945 0.879 . . . . 0.0 109.444 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.51 ' CG1' ' HD3' ' A' ' 50' ' ' LYS . 42.2 t -65.02 -39.85 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.729 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -64.85 -36.67 85.08 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.68 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.02 -30.78 70.96 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.058 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.8 m . . . . . 0 CA--C 1.552 1.025 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.771 0.796 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -72.41 -28.5 63.01 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.284 -175.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.88 -37.91 87.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.73 -29.07 64.13 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.075 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.95 21.49 13.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.857 0.837 . . . . 0.0 110.123 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -85.35 -18.77 32.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.296 0.57 . . . . 0.0 109.712 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.203 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.8 tp -72.13 -33.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.538 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -47.74 84.31 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.653 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.28 -35.86 81.47 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.331 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.8 t80 -65.11 -46.2 82.02 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 32' ' ' LEU . 3.8 pp -67.78 -35.85 79.42 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 31' ' ' LEU . 4.4 pp -70.26 -35.35 73.71 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.38 -0.928 . . . . 0.0 110.393 176.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 51.1 t-80 -62.17 -39.55 93.01 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.366 175.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 30' ' ' PHE . 55.9 mt -61.58 -40.72 87.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 C-N-CA 123.014 0.525 . . . . 0.0 110.374 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -63.25 -41.5 99.06 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.377 0.608 . . . . 0.0 109.535 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -69.69 -33.54 72.67 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.908 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 32.9 mm-40 -63.45 -32.35 73.76 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.0 t -64.0 -50.55 76.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -60.7 -42.86 98.04 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.095 0.95 . . . . 0.0 110.143 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.607 ' O ' ' HB ' ' A' ' 44' ' ' THR . 39.1 t70 -63.42 -47.44 81.96 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.573 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -66.94 -33.96 76.73 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 123.021 0.2 . . . . 0.0 110.764 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.14 -39.26 81.85 Favored 'General case' 0 N--CA 1.431 -1.377 0 O-C-N 123.702 0.626 . . . . 0.0 112.507 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -93.98 -23.61 17.98 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 115.861 -2.336 . . . . 0.0 111.04 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 2.9 m -84.55 -29.64 25.73 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.94 -56.74 0.18 Allowed Glycine 0 C--N 1.316 -0.558 0 C-N-CA 118.323 -1.894 . . . . 0.0 114.322 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 2.6 p-10 59.45 24.4 13.04 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 125.82 1.648 . . . . 0.0 112.01 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -56.38 -50.11 72.52 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.444 1.097 . . . . 0.0 112.057 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -138.2 -4.02 1.72 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 46' ' ' ASN . 16.8 mt-10 -63.04 -35.22 79.52 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 112.641 -2.072 . . . . 0.0 112.073 -170.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 12.5 tptm -62.25 -50.0 73.47 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -41.6 84.73 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.279 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -59.84 -44.27 94.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.195 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.3 tp -70.47 -34.19 72.11 Favored 'General case' 0 N--CA 1.41 -2.433 0 CA-C-O 121.242 0.544 . . . . 0.0 111.336 -177.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 61.5 mt -68.24 -33.44 74.41 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.079 175.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 59' ' ' VAL . 25.2 tpt180 -69.71 -32.26 70.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.4 tp10 -62.11 -38.88 90.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.125 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.3 pp -72.98 -33.13 65.63 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.755 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.5 m -62.33 -37.01 83.97 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 121.766 0.793 . . . . 0.0 109.896 175.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 55' ' ' ARG . 67.6 t -70.97 -43.45 76.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.074 0.464 . . . . 0.0 109.755 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.796 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 31.0 p -63.54 -29.6 70.84 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.98 1.371 . . . . 0.0 110.984 177.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 58' ' ' THR . 32.4 tt0 -67.24 -38.05 84.54 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.719 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.91 -31.83 72.69 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.282 177.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.796 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.3 m-85 -65.74 -37.53 86.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 175.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.92 -43.42 97.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.731 175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.52 -38.11 86.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.992 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.37 85.47 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.123 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 12.6 p -73.61 -36.62 65.51 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.376 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -69.48 -33.81 73.43 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.501 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.48 73.51 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 67' ' ' SER . 40.8 t80 -67.67 -48.92 65.26 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.1 m-85 -60.65 -39.15 87.28 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.313 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -57.32 -49.13 77.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -71.82 -31.95 67.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 117.577 -1.649 . . . . 0.0 111.875 177.087 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp10 -67.0 -29.29 69.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.292 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.76 -18.61 65.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.336 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -91.99 -6.85 50.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.857 0.463 . . . . 0.0 112.115 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.3 mmt180 -64.38 -30.74 71.77 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m 73.35 -17.95 0.4 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 124.325 1.05 . . . . 0.0 111.549 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -60.17 -41.8 93.6 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.914 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.52 152.0 27.07 Favored 'General case' 0 CA--C 1.483 -1.603 0 CA-C-O 123.098 1.428 . . . . 0.0 109.113 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -109.44 176.2 5.17 Favored 'General case' 1 C--N 1.215 -5.282 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.5 -30.77 63.38 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.309 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.6 mm-40 -73.09 -32.3 64.91 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 121.361 0.6 . . . . 0.0 111.373 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -58.04 -37.03 73.6 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -67.6 -32.42 73.13 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.407 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -73.33 -42.0 62.82 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 125.932 1.693 . . . . 0.0 108.218 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.1 m-85 -73.51 -36.33 65.73 Favored 'General case' 0 CA--C 1.476 -1.903 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.78 -37.92 89.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.55 67.38 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.137 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.41 88.46 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.716 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -60.81 -40.04 91.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.48 -26.9 61.98 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 123.668 0.605 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 m -72.64 -49.63 30.51 Favored 'General case' 0 N--CA 1.421 -1.88 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.92 -41.1 95.59 Favored Glycine 0 C--O 1.204 -1.741 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.425 ' CG ' ' HZ2' ' A' ' 100' ' ' LYS . 17.7 t70 -65.93 -46.21 79.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.726 0.298 . . . . 0.0 111.063 -177.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.19 -39.89 78.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.98 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.6 pp -71.63 -27.58 63.19 Favored 'General case' 0 C--O 1.203 -1.365 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.668 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.35 -40.44 93.62 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' A' ' 96' ' ' ASP . 50.0 mttp -66.35 -33.11 74.99 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.433 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.34 -34.9 65.88 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 95.0 mt -58.48 -50.05 75.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.263 0.625 . . . . 0.0 109.614 175.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -65.96 -30.61 71.2 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.304 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.15 -44.75 64.91 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -69.82 -33.98 73.05 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -42.62 95.54 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.925 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.77 81.07 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -68.89 -45.97 69.59 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 122.848 0.459 . . . . 0.0 109.85 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 105' ' ' LEU . 57.7 t -67.39 -39.65 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.283 0.563 . . . . 0.0 109.911 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.8 -33.25 73.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.182 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.93 -31.78 61.61 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.701 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.543 0.695 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.651 179.141 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 45.8 t30 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.749 0.309 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.0 p -66.4 -40.64 89.73 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.847 0.459 . . . . 0.0 112.228 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.11 89.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.215 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -69.48 -38.18 77.58 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 77.5 mt-30 -62.45 -39.67 94.14 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -62.6 -45.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.038 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CE1' HG13 ' A' ' 64' ' ' ILE . 19.4 m-85 -99.41 10.73 40.85 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.858 -1.137 . . . . 0.0 113.505 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 85.1 t60 -69.23 -18.99 63.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.126 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.69 -45.13 87.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.794 0.807 . . . . 0.0 109.238 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.09 -33.49 35.75 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.76 -36.2 76.16 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.574 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 29.7 mtpp -64.29 -44.52 91.41 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.95 -40.88 86.02 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.611 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.07 -47.91 81.73 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.483 0.182 . . . . 0.0 111.212 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -69.61 -37.22 76.79 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.748 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.506 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 58.3 t60 -65.17 -48.19 74.35 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.348 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 38' ' ' VAL . 67.7 mt -67.2 -40.7 85.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 122.693 0.397 . . . . 0.0 111.701 -175.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -62.25 -43.85 97.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -60.26 -45.71 92.36 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.35 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 30.4 mm-40 -62.08 -32.9 73.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.766 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 89.4 t -63.06 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.35 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.75 -44.0 97.76 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.31 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 44' ' ' THR . 25.1 t70 -60.61 -47.95 83.96 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.927 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.3 -34.65 76.53 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.695 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 52.8 mt-10 -61.81 -30.04 70.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -13.52 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 118.956 -1.098 . . . . 0.0 111.649 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 21.9 m -94.17 -41.62 9.4 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.529 -176.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.13 -68.4 0.02 OUTLIER Glycine 0 C--N 1.314 -0.651 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.237 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 t30 75.73 13.24 2.9 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.633 1.173 . . . . 0.0 109.363 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.93 -50.32 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.039 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -146.74 -18.26 0.42 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.784 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.62 -35.49 76.29 Favored 'General case' 0 C--O 1.195 -1.771 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.832 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.9 tptt -58.56 -51.02 71.66 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 123.8 0.687 . . . . 0.0 110.33 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -43.64 84.39 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.44 ' HD3' ' C ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -61.0 -44.89 96.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.505 178.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.88 -37.39 87.2 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-O 121.188 0.518 . . . . 0.0 111.518 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 73.9 mt -64.58 -33.14 75.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.52 0.676 . . . . 0.0 110.819 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.7 mmt180 -69.71 -29.81 67.3 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.471 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.55 -35.87 78.01 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.7 pp -70.26 -30.59 67.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.271 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 51.3 m -62.68 -40.67 97.84 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.209 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.8 t -66.39 -40.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.781 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 27.1 m -59.31 -48.81 80.24 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.895 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' HG23 ' A' ' 64' ' ' ILE . 8.4 pt-20 -64.27 -30.41 71.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.705 177.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.76 87.42 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.781 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.262 10.0 p90 -76.57 -34.8 58.45 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.265 -1.374 . . . . 0.0 111.736 -178.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 60' ' ' SER . 12.2 tt -68.24 -36.44 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 119.186 -1.006 . . . . 0.0 111.405 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.48 -37.93 89.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.75 -42.8 98.47 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -68.4 -31.16 70.32 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 122.257 -0.555 . . . . 0.0 110.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -40.54 89.72 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 121.093 0.473 . . . . 0.0 109.787 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.547 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -62.81 -27.7 70.53 Favored Glycine 0 N--CA 1.424 -2.156 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.892 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -71.03 -41.88 70.26 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -65.09 -39.72 93.58 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.346 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.12 -35.78 74.05 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.502 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.88 -43.73 71.22 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 77' ' ' ARG . 25.6 mt-10 -63.95 -29.39 70.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 0.0 112.296 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.4 tt -60.25 -25.21 65.49 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.082 0.953 . . . . 0.0 109.655 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -102.38 -6.79 22.62 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 75.6 ttt180 -66.04 -22.9 66.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.611 0.765 . . . . 0.0 113.056 -171.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m 73.35 -32.68 0.25 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.668 0.787 . . . . 0.0 110.564 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 77' ' ' ARG . 27.4 t70 -83.29 67.86 9.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.546 1.165 . . . . 0.0 109.446 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -155.07 153.23 30.58 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.97 173.04 6.52 Favored 'General case' 1 C--N 1.24 -4.155 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.42 -30.03 59.69 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.291 0.496 . . . . 0.0 109.875 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.69 -49.98 74.72 Favored 'General case' 0 CA--C 1.512 -0.515 0 C-N-CA 124.303 1.041 . . . . 0.0 109.833 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 42.2 mt-10 -71.79 -37.13 70.47 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.269 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -59.37 -39.76 84.31 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.044 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.12 -32.51 74.24 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.363 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -36.81 69.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.601 0.761 . . . . 0.0 109.883 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.2 m-85 -71.11 -45.87 62.82 Favored 'General case' 0 CA--C 1.466 -2.256 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.14 -33.3 75.47 Favored 'General case' 0 N--CA 1.423 -1.817 0 O-C-N 123.751 0.657 . . . . 0.0 110.264 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.68 -44.8 63.6 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.127 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.11 74.08 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.206 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -61.95 -38.96 90.46 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.51 71.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.233 0.333 . . . . 0.0 110.666 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.49 -46.53 69.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.22 0.534 . . . . 0.0 110.069 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.62 89.46 Favored Glycine 0 N--CA 1.416 -2.639 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.631 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.5 ' CG ' ' HZ2' ' A' ' 100' ' ' LYS . 28.0 t70 -63.26 -46.19 87.97 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.681 0.24 . . . . 0.0 111.179 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.93 -45.74 87.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.02 -28.23 64.25 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.893 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.88 -36.97 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HZ2' ' CG ' ' A' ' 96' ' ' ASP . 47.2 mttp -65.94 -33.42 75.79 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.069 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.42 -38.96 68.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.004 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.3 mt -54.81 -49.94 69.75 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 123.771 0.828 . . . . 0.0 110.146 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.25 -35.95 78.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.21 76.24 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -34.53 72.09 Favored 'General case' 0 N--CA 1.428 -1.534 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.25 -46.83 87.46 Favored 'General case' 0 C--O 1.184 -2.358 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 176.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -67.99 -48.04 66.88 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 54' ' ' LEU . 60.5 t -67.35 -39.75 83.38 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-O 121.184 0.516 . . . . 0.0 110.304 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.28 -33.3 72.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.455 1.502 . . . . 0.0 108.861 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.14 -32.77 59.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.785 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.4 m -67.96 -24.54 65.17 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.062 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 50' ' ' LYS . 42.6 mt-10 . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.868 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 120.843 0.354 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 2.2 m -62.34 -49.91 73.69 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.856 0.836 . . . . 0.0 108.822 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.8 -27.83 66.22 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.816 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -62.73 -43.65 98.25 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 122.943 0.497 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.97 -35.94 82.8 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.462 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 19' ' ' THR . 42.0 mtp180 -70.54 -27.97 64.56 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.059 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE1' ' HE2' ' A' ' 71' ' ' PHE . 4.8 m-30 -90.24 -11.51 40.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.461 0.648 . . . . 0.0 110.966 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -71.15 -16.05 62.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.5 -42.78 98.5 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.358 173.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.25 -34.05 36.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.239 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.14 -45.62 90.48 Favored 'General case' 0 C--O 1.25 1.124 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.289 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 32' ' ' LEU 0.283 22.3 pttp -66.73 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.223 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' O ' HG13 ' A' ' 34' ' ' ILE . 14.4 m-85 -58.31 -45.33 88.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.728 0.299 . . . . 0.0 110.634 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.47 -44.76 92.94 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.345 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.5 pp -69.68 -35.26 74.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.553 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -59.27 -41.81 89.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.741 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.3 mt -65.76 -46.72 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.171 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.1 m -61.23 -41.0 96.11 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.83 -46.5 89.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.827 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -31.89 73.08 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.604 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.2 t -59.04 -44.96 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.585 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 19.9 t70 -67.88 -43.99 78.07 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 118.509 -1.276 . . . . 0.0 110.443 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.08 -45.4 93.04 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.621 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.5 pp -65.66 -35.54 81.09 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -176.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.3 mm-40 -63.16 -28.95 70.41 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.892 0.377 . . . . 0.0 110.47 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 28.5 mmtp -92.27 -29.46 16.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.277 1.037 . . . . 0.0 110.15 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 m -86.57 -0.56 56.39 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 113.679 -1.601 . . . . 0.0 111.317 -176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.64 -39.2 2.63 Favored Glycine 0 C--N 1.312 -0.753 0 C-N-CA 118.608 -1.758 . . . . 0.0 114.689 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' OD1' ' HE2' ' A' ' 50' ' ' LYS . 35.1 t30 67.65 40.62 2.46 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 122.443 1.116 . . . . 0.0 109.794 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.22 -48.61 67.33 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.309 -0.869 . . . . 0.0 112.566 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -155.7 -3.68 0.13 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.069 0.462 . . . . 0.0 110.875 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.15 -37.21 84.33 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.876 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.8 ttpt -62.05 -49.86 74.28 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 121.467 0.651 . . . . 0.0 111.399 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -58.66 -44.76 90.23 Favored 'General case' 0 C--N 1.274 -2.694 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.48 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 mtm105 -66.66 -40.5 88.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.018 0.437 . . . . 0.0 111.885 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 34' ' ' ILE . 46.2 tp -62.22 -36.65 82.6 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 121.53 0.681 . . . . 0.0 111.408 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.7 mt -63.79 -33.64 76.13 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.29 0.567 . . . . 0.0 109.659 174.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 30.3 mmt180 -68.92 -27.92 66.2 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 40.5 tt0 -65.76 -40.35 91.98 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.693 176.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.4 pp -72.65 -31.72 65.32 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.105 177.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.7 m -62.19 -46.97 86.57 Favored 'General case' 0 C--O 1.253 1.261 0 CA-C-O 122.069 0.938 . . . . 0.0 110.168 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 63' ' ' PHE . 10.5 p -65.66 -37.09 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.402 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.787 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 50.5 m -59.25 -29.91 67.89 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 121.528 0.68 . . . . 0.0 112.018 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 52.7 mt-10 -69.48 -39.43 77.69 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.07 75.11 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.218 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.787 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 2.6 m-85 -67.74 -44.03 78.53 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 19.0 mm -58.8 -49.57 82.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 O-C-N 123.355 0.409 . . . . 0.0 111.253 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.7 -34.56 78.6 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.044 0.45 . . . . 0.0 111.848 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.03 -41.28 48.74 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.237 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.1 p -71.79 -31.58 66.75 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 122.572 -0.37 . . . . 0.0 110.467 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 66.9 mtp180 -64.22 -44.25 92.48 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.916 174.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.656 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.2 -24.7 72.07 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 175.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' A' ' 67' ' ' SER . 60.5 t80 -70.63 -51.5 27.62 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 37.4 m-85 -63.49 -39.54 94.72 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.247 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 22.5 mt-30 -60.99 -38.15 84.96 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.656 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.1 mpt_? -70.61 -32.51 69.89 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 120.881 0.372 . . . . 0.0 111.933 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 8.9 mm-40 -63.21 -31.35 72.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.044 0.45 . . . . 0.0 110.645 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.27 -21.13 64.96 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.173 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -86.58 -7.17 58.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.886 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.4 -33.09 64.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.856 0.36 . . . . 0.0 111.332 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 m 73.81 -5.91 1.92 Allowed 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 123.941 0.896 . . . . 0.0 111.176 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -64.59 -36.32 83.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.804 0.812 . . . . 0.0 110.032 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -62.62 168.21 3.89 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 123.342 1.544 . . . . 0.0 110.854 176.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.84 -163.55 1.33 Allowed 'General case' 1 C--N 1.237 -4.312 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 -29.38 70.63 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 119.001 0.819 . . . . 0.0 110.832 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -49.69 74.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.795 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 13.5 mm-40 -71.8 -34.16 69.14 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.842 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 26.9 ttpp -57.28 -43.25 82.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.66 -33.5 74.07 Favored 'General case' 0 C--O 1.196 -1.741 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.226 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -73.53 -35.13 65.52 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 123.692 0.797 . . . . 0.0 110.087 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.636 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.0 m-85 -70.46 -45.71 65.24 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 48.5 mt-10 -65.33 -33.04 75.03 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.902 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.39 76.98 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.369 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.06 90.38 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.573 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 75.2 mt -58.63 -39.82 81.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 97' ' ' LEU . . . -73.24 -35.68 66.3 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.823 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.9 m -69.55 -45.5 68.61 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.594 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.58 -36.07 87.48 Favored Glycine 0 N--CA 1.415 -2.733 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.867 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.79 -42.92 69.69 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 93' ' ' ALA . 2.3 pp -66.07 -45.78 80.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -70.9 -26.0 63.03 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.9 tt -68.12 -39.94 82.62 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.85 -33.58 76.18 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.081 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.36 -35.53 68.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.667 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.4 mt -60.9 -48.09 83.39 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 123.766 0.827 . . . . 0.0 109.68 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 99' ' ' LEU . 66.9 mttm -66.08 -35.0 79.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.41 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.98 70.38 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.254 0.55 . . . . 0.0 109.82 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.89 -33.28 71.99 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.36 -46.35 88.89 Favored 'General case' 0 C--O 1.19 -2.051 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.616 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -37.41 87.07 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.986 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -68.45 -43.31 77.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.721 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.33 -39.51 72.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 CA-C-O 121.016 0.436 . . . . 0.0 110.705 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.67 -46.81 87.91 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.378 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.7 -50.58 14.94 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.476 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 p 49.85 -46.0 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 129.124 2.969 . . . . 0.0 118.013 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--N 1.275 -2.64 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -173.351 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 p30 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -74.09 -38.13 63.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 122.155 -0.341 . . . . 0.0 110.779 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.34 74.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.247 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -66.35 -32.31 73.63 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.811 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.58 -40.42 92.73 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 1.5 tpm_? -68.47 -26.54 65.54 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.483 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 7.0 m-85 -99.51 17.41 20.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.663 -0.815 . . . . 0.0 112.513 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -63.95 -30.96 71.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.0 mt-10 -68.93 -32.79 72.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.175 0.512 . . . . 0.0 110.666 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.47 -47.23 86.29 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.291 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 64.3 pttt -62.95 -38.87 92.81 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.986 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -58.6 -48.37 81.19 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.51 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.66 -47.71 85.02 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 123.391 0.432 . . . . 0.0 111.519 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 33' ' ' HIS . 4.3 pp -70.17 -35.53 74.05 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.111 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' N ' HD11 ' A' ' 32' ' ' LEU . 58.5 t-80 -60.79 -49.17 78.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 123.912 0.885 . . . . 0.0 109.807 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.655 ' O ' HG22 ' A' ' 38' ' ' VAL . 74.6 mt -62.22 -42.93 97.14 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.795 0 O-C-N 124.207 0.942 . . . . 0.0 110.686 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 15.5 m -60.46 -47.9 84.1 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.24 0.543 . . . . 0.0 111.228 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.69 -33.0 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.65 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.707 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 22.8 tt0 -68.47 -30.95 69.91 Favored 'General case' 0 C--O 1.196 -1.725 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.559 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 34' ' ' ILE . 79.2 t -61.08 -47.14 94.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.55 -38.31 89.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.246 0.966 . . . . 0.0 110.899 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.75 -47.99 82.72 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.77 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 35.6 mt -61.99 -43.39 98.94 Favored 'General case' 0 CA--C 1.47 -2.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 46' ' ' ASN . 28.4 tt0 -60.28 -34.34 73.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.815 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -98.24 -17.86 18.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.661 0.744 . . . . 0.0 110.142 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.4 m -82.23 -28.85 31.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.751 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -61.28 0.1 OUTLIER Glycine 0 CA--C 1.493 -1.342 0 C-N-CA 119.606 -1.283 . . . . 0.0 111.945 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 5.3 t30 76.36 24.42 1.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.142 1.377 . . . . 0.0 108.11 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -68.53 -52.06 36.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.065 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.1 p-10 -157.72 12.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 123.245 1.498 . . . . 0.0 107.747 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HB3' HD21 ' A' ' 41' ' ' LEU . 20.4 mt-10 -72.09 -35.01 69.1 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 112.528 -2.124 . . . . 0.0 109.491 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 16.8 tptt -58.44 -48.6 80.18 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -60.3 -43.9 95.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.263 -1.335 . . . . 0.0 110.914 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 90.6 mtt180 -62.05 -45.33 94.04 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.808 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.5 tp -64.27 -36.35 83.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 121.582 0.706 . . . . 0.0 111.004 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 72.8 mt -65.4 -32.76 74.56 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.223 0.535 . . . . 0.0 110.595 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 89.3 mtt180 -67.28 -35.22 79.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 10.1 tp10 -61.84 -42.56 99.18 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.029 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.0 pp -69.2 -29.94 68.01 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 109.981 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 41.8 m -63.1 -41.32 99.36 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.209 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.76 -38.42 82.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.6 m -59.36 -43.14 92.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.091 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -69.45 -29.92 67.72 Favored 'General case' 0 C--O 1.211 -0.929 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.458 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.96 90.57 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 111.495 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.825 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.326 10.1 p90 -74.66 -30.45 61.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.289 -1.364 . . . . 0.0 112.217 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -63.46 -35.01 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 50.9 mt-10 -60.27 -45.17 94.26 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.62 85.12 Favored Glycine 0 C--O 1.246 0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.054 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -65.93 -37.75 86.88 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 67.1 ttt180 -68.16 -45.12 74.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.227 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.97 -27.06 70.76 Favored Glycine 0 N--CA 1.43 -1.716 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -71.04 -43.75 67.24 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 47.8 m-85 -61.65 -40.06 93.57 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 111.255 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 90.2 mt-30 -62.16 -41.66 98.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.482 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -69.93 -32.87 71.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.943 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 13.8 mm-40 -59.95 -30.3 68.99 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.221 0.608 . . . . 0.0 111.339 173.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.52 -16.64 62.89 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.003 0.43 . . . . 0.0 111.15 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' HB3' ' HZ3' ' A' ' 76' ' ' LYS . 8.1 mtpm? -100.64 -5.09 27.16 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.747 0.819 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -53.14 -20.77 4.12 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.107 1.363 . . . . 0.0 113.284 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m 76.0 -42.74 0.46 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 110.766 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.19 90.57 4.4 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.876 0.846 . . . . 0.0 109.645 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -163.5 149.02 11.26 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 104.57 -2.382 . . . . 0.0 104.57 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.46 -162.31 1.1 Allowed 'General case' 0 C--N 1.253 -3.611 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.5 -30.79 69.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 118.184 0.447 . . . . 0.0 111.644 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -49.79 65.64 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 120.952 0.406 . . . . 0.0 110.555 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 mp0 -70.54 -43.77 68.87 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.412 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -56.46 -43.79 79.88 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.256 1.022 . . . . 0.0 109.552 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.95 -32.69 72.46 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.875 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.43 -38.2 71.39 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 124.903 1.281 . . . . 0.0 110.148 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.62 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.8 m-85 -71.95 -46.79 56.2 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 -31.65 70.95 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.368 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.11 70.08 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 118.502 -1.279 . . . . 0.0 110.192 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -71.53 -38.13 71.09 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.44 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 97.3 mt -59.14 -37.15 76.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.82 64.67 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.895 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -68.69 -42.97 77.06 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.97 -35.81 90.01 Favored Glycine 0 N--CA 1.425 -2.033 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.514 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 23.1 t70 -67.84 -45.7 73.9 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.834 0.317 . . . . 0.0 110.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.2 -44.86 86.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.41 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 4.5 pp -70.03 -26.7 64.17 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.244 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.3 tt -67.89 -36.62 80.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 7.4 mtpm? -68.66 -33.32 73.8 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.539 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.33 -39.1 89.02 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.897 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 96.1 mt -58.08 -50.22 74.23 Favored 'General case' 0 N--CA 1.46 0.055 0 O-C-N 123.894 0.746 . . . . 0.0 110.455 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.54 -32.98 68.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.74 72.64 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.31 -34.7 73.02 Favored 'General case' 0 C--O 1.175 -2.831 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.33 -42.67 92.0 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.502 0.501 . . . . 0.0 109.737 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -37.11 80.34 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.286 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 111' ' ' ASP . 50.8 mtm180 -68.39 -42.92 78.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.888 0.851 . . . . 0.0 109.65 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 105' ' ' LEU . 87.6 t -69.62 -39.53 78.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.825 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -59.61 -38.21 80.66 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 108' ' ' ARG . 13.0 t70 -68.35 -29.91 68.75 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.56 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m -75.76 -26.07 57.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . 0.252 16.3 pt-20 . . . . . 0 C--O 1.243 0.722 0 C-N-CA 118.419 -1.313 . . . . 0.0 112.033 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 . . . . . 0 CA--C 1.496 -1.103 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -66.53 -32.8 74.38 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 123.034 0.534 . . . . 0.0 110.25 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.37 84.23 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.345 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -70.57 -38.0 74.04 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.947 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -62.34 -40.06 95.12 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -62.77 -38.75 91.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.699 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -91.07 -1.66 57.75 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.944 -1.102 . . . . 0.0 112.58 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -74.09 -21.38 59.93 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.45 -44.82 77.72 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.304 1.049 . . . . 0.0 108.315 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.63 -34.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.93 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 35.7 tt0 -59.57 -35.59 74.58 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.186 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -66.14 -39.78 90.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.867 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -58.61 -45.88 88.21 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.281 0.562 . . . . 0.0 109.641 171.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 2.6 tm? -57.57 -48.47 79.25 Favored 'General case' 0 C--O 1.252 1.219 0 C-N-CA 124.689 1.196 . . . . 0.0 111.065 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.34 -35.69 73.76 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.454 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -64.14 -42.73 96.67 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.001 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 38' ' ' VAL . 84.0 mt -62.68 -45.44 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 117.719 0.236 . . . . 0.0 110.544 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -63.95 -44.22 93.47 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-O 121.466 0.65 . . . . 0.0 110.353 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 49.9 t-80 -66.79 -31.4 72.01 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.33 0.586 . . . . 0.0 110.133 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.3 tp10 -65.74 -33.88 76.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 34' ' ' ILE . 58.2 t -64.08 -38.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 5.1 m-20 -60.28 -45.4 93.47 Favored 'General case' 0 C--O 1.265 1.912 0 CA-C-O 122.452 1.12 . . . . 0.0 110.613 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.4 -47.63 59.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.61 -172.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.07 -34.14 75.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 123.398 0.436 . . . . 0.0 110.495 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' N ' HD13 ' A' ' 41' ' ' LEU . 38.0 tt0 -61.53 -42.9 99.51 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 123.684 0.615 . . . . 0.0 110.77 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -81.62 -13.13 58.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.027 -1.069 . . . . 0.0 109.772 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 40.8 m -95.16 -4.29 46.32 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.319 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.12 -51.4 0.75 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.06 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.6 t30 71.6 73.43 0.17 Allowed 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 124.224 1.01 . . . . 0.0 110.916 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.254 34.2 mmtp -71.79 -48.65 45.09 Favored 'General case' 0 C--N 1.283 -2.31 0 C-N-CA 118.717 -1.193 . . . . 0.0 112.876 171.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -146.73 -13.76 0.43 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.965 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.74 -41.74 98.05 Favored 'General case' 0 C--O 1.191 -2.001 0 C-N-CA 123.22 0.608 . . . . 0.0 112.072 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.528 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.4 ttpp -64.98 -48.75 72.89 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.882 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.6 85.55 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.904 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -68.28 -44.57 75.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.406 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 30.5 tp -60.94 -37.9 83.97 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 123.947 0.899 . . . . 0.0 111.559 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 82.4 mt -64.46 -36.37 83.95 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 59' ' ' VAL . 79.2 ttt180 -69.31 -36.89 77.44 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.8 tp10 -61.36 -43.14 99.38 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 109.434 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 2.4 pp -71.32 -30.83 66.68 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 m -64.25 -39.66 94.4 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-O 121.484 0.659 . . . . 0.0 109.55 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 55' ' ' ARG . 61.0 t -66.59 -38.91 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.78 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 32.2 m -59.62 -46.09 90.0 Favored 'General case' 0 C--O 1.25 1.118 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.631 178.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -58.85 -36.03 73.9 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.746 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.56 76.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.78 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 7.3 p90 -76.75 -33.14 58.12 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.824 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -35.82 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.63 -31.66 68.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.58 -36.83 88.83 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 29.9 t -69.68 -32.67 71.41 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -63.86 -43.4 96.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.233 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.521 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.3 -24.66 69.22 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 174.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 59.0 t80 -70.64 -46.65 62.9 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 49.6 m-85 -65.16 -39.81 93.46 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -40.71 80.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.429 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 7.6 mpt_? -69.46 -37.52 77.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.463 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 11.0 mm-40 -65.13 -31.63 72.91 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.06 -20.89 65.77 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -110.46 -6.79 14.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.035 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.61 -28.4 67.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.161 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 m 75.79 -5.2 2.22 Favored 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.42 38.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.357 1.063 . . . . 0.0 109.925 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -142.39 154.17 44.39 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -110.66 176.83 4.88 Favored 'General case' 0 C--N 1.259 -3.363 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.37 -30.92 63.29 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.06 -49.97 72.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.56 0.744 . . . . 0.0 110.72 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 43.3 mt-10 -71.83 -37.88 70.23 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.763 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -56.27 -42.56 77.65 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -59.48 -32.77 70.56 Favored 'General case' 0 C--O 1.197 -1.705 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -74.6 -39.63 62.08 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 123.296 0.638 . . . . 0.0 109.867 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.9 m-85 -73.59 -42.21 61.85 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.79 -32.09 71.56 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 114.143 -1.389 . . . . 0.0 109.163 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.01 80.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.89 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.16 82.01 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.093 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -57.81 -42.76 84.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.89 -36.53 75.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.7 m -68.67 -45.61 71.28 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.917 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.1 87.62 Favored Glycine 0 N--CA 1.415 -2.752 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.838 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' A' ' 100' ' ' LYS . 16.6 t70 -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.08 0.467 . . . . 0.0 110.422 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.1 -48.49 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.519 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.15 -27.56 64.64 Favored 'General case' 0 C--O 1.204 -1.304 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.21 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 14.4 mt -67.21 -37.43 83.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' A' ' 96' ' ' ASP . 14.5 mptt -68.11 -37.56 81.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.18 -38.19 75.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.359 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.88 -51.05 70.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.666 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 4.5 ptpp? -72.76 -29.25 63.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.399 -0.921 . . . . 0.0 113.082 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.44 70.49 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -71.03 -33.96 70.83 Favored 'General case' 0 C--O 1.18 -2.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.38 -46.71 85.83 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 123.862 0.865 . . . . 0.0 109.771 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.1 -32.62 74.18 Favored 'General case' 0 C--O 1.183 -2.421 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -68.52 -48.88 63.2 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.445 0.698 . . . . 0.0 109.444 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.5 t -67.92 -38.37 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.312 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.45 -33.16 75.29 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.27 173.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 -17.84 54.85 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.616 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 m -58.78 -26.2 63.81 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.933 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.438 -1.037 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.335 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 CA--C 1.489 -1.372 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.2 m -62.94 -35.7 80.97 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.933 0.397 . . . . 0.0 111.292 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.47 -48.13 73.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.952 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -74.91 -34.76 62.2 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.674 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.01 -43.83 94.44 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.94 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -66.28 -32.86 74.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -84.06 0.0 50.04 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.083 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -72.44 -22.84 61.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.681 -0.407 . . . . 0.0 109.963 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.48 -40.34 95.49 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.785 0.802 . . . . 0.0 109.866 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.44 -34.9 25.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 6.1 tm-20 -59.77 -46.66 88.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.477 0.711 . . . . 0.0 109.481 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.67 -36.09 81.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.518 177.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -68.57 -34.16 75.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 62.0 tp -58.35 -43.43 88.35 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.725 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.3 pp -68.59 -35.11 76.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.79 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -59.13 -47.78 84.04 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.668 ' O ' HG21 ' A' ' 38' ' ' VAL . 15.0 mm -62.58 -46.7 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 O-C-N 123.302 0.376 . . . . 0.0 110.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -64.28 -44.6 91.18 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.211 0.529 . . . . 0.0 110.656 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 20.4 t60 -70.27 -31.11 68.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 122.101 -0.375 . . . . 0.0 111.359 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.0 tp10 -59.68 -37.15 77.99 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 34' ' ' ILE . 39.8 t -64.69 -45.03 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.502 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 64.0 m-20 -59.21 -45.18 91.77 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 122.322 1.058 . . . . 0.0 109.658 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.12 -47.1 63.22 Favored 'General case' 0 N--CA 1.405 -2.693 0 CA-C-N 113.403 -1.726 . . . . 0.0 109.978 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.37 -35.15 77.29 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.394 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' HD13 ' A' ' 41' ' ' LEU . 41.7 mt-10 -70.02 -24.96 63.37 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -13.17 26.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.051 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 m -95.14 -58.31 2.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.715 -174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.82 -57.63 0.01 OUTLIER Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.482 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 75.19 4.97 4.22 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.428 1.091 . . . . 0.0 110.186 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -66.04 -48.48 70.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.827 -1.078 . . . . 0.0 113.332 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.18 -22.95 1.53 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.538 0.685 . . . . 0.0 111.323 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.296 43.4 mt-10 -66.49 -32.87 74.5 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' CE ' HG13 ' A' ' 109' ' ' VAL . 38.5 tptt -55.72 -43.49 76.57 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.873 0.844 . . . . 0.0 108.986 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.85 78.54 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.082 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.09 -40.14 88.57 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 38' ' ' VAL . 7.2 tp -57.91 -50.12 74.44 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 124.587 1.155 . . . . 0.0 111.148 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.494 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 35.9 mt -67.18 -34.68 78.05 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.386 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -68.79 -35.69 77.35 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.35 -36.76 77.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.781 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.494 ' HG ' ' HA ' ' A' ' 54' ' ' LEU . 3.1 pp -74.09 -29.75 62.02 Favored 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.454 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 m -61.06 -38.89 87.82 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.315 0.579 . . . . 0.0 110.293 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.7 t -65.84 -39.89 86.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.827 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -62.42 -42.55 99.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 126.218 1.807 . . . . 0.0 108.332 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 -44.31 63.88 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.586 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.827 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.335 6.8 p90 -76.43 -31.91 58.15 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 117.576 -1.65 . . . . 0.0 112.387 -178.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 60' ' ' SER . 5.4 tp -64.37 -37.91 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.873 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.69 -39.89 95.45 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.94 93.54 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.522 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.8 m -73.73 -34.89 64.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 122.431 -0.452 . . . . 0.0 110.347 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 68.7 mtp180 -69.23 -41.39 77.09 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -64.63 -21.36 66.97 Favored Glycine 0 N--CA 1.422 -2.248 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.462 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.473 ' HA ' ' CD ' ' A' ' 73' ' ' ARG . 64.1 t80 -70.36 -48.17 57.59 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.51 -37.7 87.07 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.238 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 24.3 mt-30 -54.71 -44.77 73.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 173.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.588 ' HD2' ' O ' ' A' ' 69' ' ' GLY 0.324 0.0 OUTLIER -69.74 -30.66 68.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 119.029 -1.068 . . . . 0.0 111.891 174.86 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 7.6 mm-40 -61.63 -29.75 70.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.097 0.475 . . . . 0.0 110.977 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.39 -20.98 66.21 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.503 0.668 . . . . 0.0 110.573 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 49.3 tttp -98.99 -7.75 26.45 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.599 1.16 . . . . 0.0 109.467 -175.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 7.6 ttt-85 -63.52 -27.4 69.24 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.703 1.201 . . . . 0.0 111.31 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.6 m 75.34 -37.18 0.33 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.647 1.179 . . . . 0.0 111.03 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.15 79.1 9.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.003 0.906 . . . . 0.0 110.197 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -161.94 156.13 21.99 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 103.274 -2.862 . . . . 0.0 103.274 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.47 -167.63 1.55 Allowed 'General case' 0 C--N 1.256 -3.492 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.7 -30.35 70.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.57 -49.78 75.27 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.214 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 39.7 mt-10 -72.61 -37.36 68.11 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.627 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.75 -37.62 76.62 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.153 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.89 -37.74 88.13 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.255 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -74.09 -32.51 63.27 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 124.086 0.955 . . . . 0.0 111.218 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 9.2 m-85 -72.06 -40.58 68.23 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.64 -31.73 71.09 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.3 81.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.703 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.19 97.18 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.48 0.712 . . . . 0.0 110.695 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.7 mt -59.18 -36.4 75.27 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.192 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.67 -37.49 65.24 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 123.507 0.504 . . . . 0.0 110.657 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -43.54 81.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.433 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.25 -38.29 87.45 Favored Glycine 0 N--CA 1.419 -2.446 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.058 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.26 -47.33 86.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.83 0.452 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.83 -48.08 80.61 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.085 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.72 -29.02 65.17 Favored 'General case' 0 C--O 1.199 -1.597 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.395 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.21 -37.1 77.89 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -68.92 -33.18 73.32 Favored 'General case' 0 N--CA 1.411 -2.38 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.205 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.63 -40.88 63.44 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 109.667 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 57' ' ' LEU . 22.0 tp -59.81 -49.3 78.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.659 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 65.5 mttp -71.78 -29.14 64.15 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.644 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.73 73.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -70.54 -32.98 70.64 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -58.56 -45.23 89.43 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 71.1 mmtt -64.48 -32.15 73.66 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 123.532 0.52 . . . . 0.0 109.949 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 72.9 ttt180 -68.66 -48.15 64.73 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 124.134 0.974 . . . . 0.0 109.14 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.475 HG13 ' CE ' ' A' ' 50' ' ' LYS . 41.4 t -58.54 -48.68 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.809 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.496 1.518 . . . . 0.0 110.609 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.87 -40.84 68.66 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -74.2 -25.53 59.74 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.256 1.408 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.909 -178.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -62.93 -37.7 88.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.19 85.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.068 -174.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -31.03 61.1 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.84 -36.58 78.33 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.433 0.635 . . . . 0.0 110.25 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -71.94 -40.54 68.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.726 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -89.05 5.62 43.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -69.04 -31.61 70.53 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.98 -41.67 98.27 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 122.184 0.992 . . . . 0.0 109.421 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -77.32 -34.76 21.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.609 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 42.5 tt0 -65.81 -46.47 78.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.02 78.97 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.002 0.429 . . . . 0.0 110.2 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' HG13 ' A' ' 34' ' ' ILE . 51.0 t80 -62.36 -42.88 99.76 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.314 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.91 -40.99 95.22 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 123.346 0.658 . . . . 0.0 109.333 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 28.4 mt -64.92 -42.32 94.81 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -59.5 -37.86 79.39 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.434 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' HG21 ' A' ' 38' ' ' VAL . 68.3 mt -62.37 -42.25 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.825 0.45 . . . . 0.0 110.132 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -66.2 -39.35 89.6 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.559 0.695 . . . . 0.0 109.739 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -69.47 -31.76 70.26 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 15.4 tp10 -63.9 -41.06 97.79 Favored 'General case' 0 C--O 1.197 -1.676 0 C-N-CA 123.945 0.898 . . . . 0.0 108.868 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 76.5 t -58.83 -48.61 85.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.247 0 C-N-CA 124.316 1.046 . . . . 0.0 108.236 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -58.6 -43.83 89.67 Favored 'General case' 0 C--O 1.282 2.771 0 CA-C-O 122.556 1.17 . . . . 0.0 110.919 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.31 -48.6 72.55 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.085 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 3.7 pp -65.84 -33.95 77.03 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.483 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 31.8 mm-40 -59.59 -35.44 74.3 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 123.681 0.613 . . . . 0.0 111.389 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 -14.22 21.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.336 -1.345 . . . . 0.0 111.618 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.3 m -90.87 -39.25 12.43 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.259 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.85 -50.8 0.17 Allowed Glycine 0 C--N 1.312 -0.775 0 C-N-CA 119.778 -1.201 . . . . 0.0 112.966 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 57.34 31.66 20.52 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.981 1.713 . . . . 0.0 111.626 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.48 -50.44 63.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.46 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -150.68 -9.74 0.25 Allowed 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 122.404 1.097 . . . . 0.0 109.313 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.86 -34.48 74.66 Favored 'General case' 0 C--O 1.2 -1.525 0 C-N-CA 125.745 1.618 . . . . 0.0 111.045 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 65.4 tttt -65.42 -48.5 72.57 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 120.772 0.32 . . . . 0.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.32 85.44 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.132 0.491 . . . . 0.0 110.239 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.71 -42.54 99.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.009 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.8 tp -61.27 -38.17 85.78 Favored 'General case' 0 N--CA 1.428 -1.564 0 C-N-CA 123.651 0.78 . . . . 0.0 111.537 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.5 mp -64.52 -33.73 76.59 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.81 0.814 . . . . 0.0 111.203 174.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -69.73 -25.18 63.72 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.7 174.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 9.0 tp10 -70.22 -37.79 75.09 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.268 4.0 pp -72.56 -29.26 63.39 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 177.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.2 m -62.18 -39.26 92.08 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.49 -38.72 83.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.764 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.8 m -60.54 -46.63 89.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.06 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.87 86.53 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.764 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 16.0 p90 -75.8 -31.36 59.39 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 117.986 -1.486 . . . . 0.0 110.782 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mm -60.22 -48.45 88.05 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.71 -28.34 64.67 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.341 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.39 -46.03 81.17 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 174.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 p -68.96 -35.55 76.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -62.72 -42.28 99.58 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.62 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.89 -25.38 71.9 Favored Glycine 0 N--CA 1.419 -2.495 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.09 -49.72 41.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 31.9 m-85 -59.86 -40.43 88.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.653 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -65.73 -39.48 91.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.62 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.8 -33.96 73.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.127 0.489 . . . . 0.0 111.568 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -70.3 -37.51 74.79 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.76 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 tp -66.53 -15.92 63.76 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.68 0.753 . . . . 0.0 110.765 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 81.6 tttt -82.65 -15.91 50.29 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.027 0.931 . . . . 0.0 110.195 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' HB3' ' OD2' ' A' ' 79' ' ' ASP . 54.5 mtt180 -69.96 -34.46 73.44 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 m 77.28 -22.65 0.27 Allowed 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 3.9 p30 -65.98 -15.72 63.25 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 121.748 0.785 . . . . 0.0 111.754 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.54 171.22 0.21 Allowed 'General case' 0 CA--C 1.476 -1.879 0 C-N-CA 127.716 2.406 . . . . 0.0 111.331 174.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.6 -176.78 4.09 Favored 'General case' 1 C--N 1.234 -4.433 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.87 -30.4 70.12 Favored 'General case' 0 C--O 1.191 -2.007 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.04 -48.84 80.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.173 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 21.9 mm-40 -71.7 -48.1 49.57 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.722 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.98 -44.4 78.52 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.638 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -68.17 -32.33 72.5 Favored 'General case' 0 C--O 1.188 -2.163 0 O-C-N 123.157 0.285 . . . . 0.0 110.764 -176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.75 -40.57 63.4 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.493 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.3 m-85 -76.77 -42.12 42.06 Favored 'General case' 0 CA--C 1.484 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.44 -33.59 76.05 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.93 71.2 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.526 -1.269 . . . . 0.0 109.564 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.53 -43.57 76.45 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.469 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.37 -33.94 77.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.471 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.51 62.58 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.641 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 m -67.9 -41.65 82.38 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.2 -44.76 97.71 Favored Glycine 0 N--CA 1.417 -2.575 0 CA-C-N 114.005 -1.452 . . . . 0.0 112.422 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.7 -41.33 92.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 117.251 0.526 . . . . 0.0 110.498 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.44 -43.77 89.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.232 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.6 pp -72.38 -27.65 62.51 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.649 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.19 -46.43 77.36 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -69.35 -31.24 69.54 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.717 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.03 -34.59 76.76 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 87.4 mt -58.04 -48.67 79.38 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 99.8 mttt -69.12 -27.23 65.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.056 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.1 73.73 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -34.32 71.77 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.72 -41.94 87.55 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.958 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.8 mmtt -65.84 -35.52 80.9 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.388 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.74 -45.09 75.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.503 0.668 . . . . 0.0 109.552 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.58 -39.3 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.677 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -59.6 -38.45 81.29 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -76.25 -18.2 59.12 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.886 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t -76.95 -25.59 53.01 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.344 -0.836 . . . . 0.0 109.041 177.345 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.386 0.136 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 m -63.17 -36.27 83.06 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.302 0.572 . . . . 0.0 110.158 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.73 -47.08 73.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.252 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -41.7 97.45 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.155 0.982 . . . . 0.0 110.005 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.67 -36.38 76.33 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.613 0.765 . . . . 0.0 110.953 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -75.77 -39.22 57.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.118 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -84.94 -4.82 59.28 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.429 0.633 . . . . 0.0 112.245 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -68.15 -27.46 66.45 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.546 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 18.9 mm-40 -72.45 -29.84 64.04 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.607 0.717 . . . . 0.0 109.963 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.5 mp -78.4 -35.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 19.4 tp10 -59.23 -39.91 84.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.614 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 39.8 ttmt -59.33 -39.82 84.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.256 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 25.1 m-85 -59.59 -44.89 93.23 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.52 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.2 -39.85 80.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 120.955 0.407 . . . . 0.0 111.513 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 23.9 mt -63.57 -47.05 83.11 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.38 -45.72 90.65 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.502 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 38' ' ' VAL . 73.7 mt -62.68 -46.09 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -64.14 -41.97 96.99 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.967 0.413 . . . . 0.0 110.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.13 -39.11 91.45 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 109.752 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -30.3 67.85 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 34' ' ' ILE . 47.7 t -62.9 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.9 -45.07 87.47 Favored 'General case' 0 C--O 1.265 1.882 0 CA-C-O 122.124 0.964 . . . . 0.0 110.427 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.99 -44.52 95.8 Favored 'General case' 0 C--O 1.194 -1.863 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.141 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.1 pp -64.44 -35.01 79.54 Favored 'General case' 0 CA--C 1.483 -1.626 0 O-C-N 123.373 0.421 . . . . 0.0 110.81 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' N ' HD11 ' A' ' 41' ' ' LEU . 1.3 tm-20 -63.1 -34.48 77.69 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.7 -36.03 17.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.015 0.912 . . . . 0.0 110.007 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.502 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 23.3 m -68.91 -10.73 58.71 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 125.752 1.621 . . . . 0.0 112.097 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.39 -37.83 2.53 Favored Glycine 0 N--CA 1.463 0.455 0 C-N-CA 119.125 -1.512 . . . . 0.0 114.394 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 71.68 19.12 5.08 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 122.232 1.015 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HG2' ' OE1' ' A' ' 49' ' ' GLU . 6.5 ptpp? -67.05 -47.55 71.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.573 -173.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.84 -17.66 3.14 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 122.036 0.922 . . . . 0.0 109.758 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.524 ' OE1' ' HG2' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -59.87 -35.77 75.51 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.024 -171.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.679 ' HE2' ' O ' ' A' ' 109' ' ' VAL . 9.2 tptm -65.45 -50.53 65.05 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.317 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.949 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -66.03 -48.59 70.62 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.968 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.77 -35.59 77.25 Favored 'General case' 0 N--CA 1.423 -1.779 0 CA-C-O 121.307 0.575 . . . . 0.0 110.962 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 93.5 mt -62.26 -33.18 74.12 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.191 0.52 . . . . 0.0 111.036 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 59' ' ' VAL . 27.0 ttm180 -69.34 -37.35 77.65 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.43 -35.51 79.48 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.789 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.4 pp -71.84 -32.08 67.16 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.793 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 42.9 m -64.95 -35.75 82.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 121.844 0.83 . . . . 0.0 109.821 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 55' ' ' ARG . 48.5 t -69.3 -43.12 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.813 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 19.4 m -62.84 -31.15 72.11 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 123.287 1.518 . . . . 0.0 110.432 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' THR . 24.3 tt0 -67.98 -37.4 81.48 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-N 112.052 -2.34 . . . . 0.0 107.257 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.11 63.7 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.898 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.813 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 2.5 m-85 -63.94 -41.4 97.62 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 32.9 mm -59.22 -45.26 93.06 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.738 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 68' ' ' ARG . 11.1 mm-40 -56.61 -45.27 81.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 111.77 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.78 95.9 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.6 m -69.74 -32.35 70.84 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 43.2 mtm105 -67.91 -39.61 83.56 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.287 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.695 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.99 -31.54 79.78 Favored Glycine 0 N--CA 1.42 -2.401 0 C-N-CA 120.249 -0.977 . . . . 0.0 110.693 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -70.63 -52.03 24.05 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 121.292 0.567 . . . . 0.0 109.666 -173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -65.89 -38.81 89.74 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.738 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.12 -40.03 84.16 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.335 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.9 mpt_? -69.59 -44.69 70.25 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.826 -0.17 . . . . 0.0 110.742 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.62 -29.45 70.06 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD11 ' HG3' ' A' ' 85' ' ' LYS . 28.9 tp -66.18 -15.86 63.5 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.755 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 20.9 pttm -96.07 -5.29 41.25 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 121.952 -0.467 . . . . 0.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' HB ' ' A' ' 78' ' ' THR . 27.9 ttt180 -50.74 -19.66 1.02 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.577 1.951 . . . . 0.0 115.118 -167.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 77' ' ' ARG . 61.9 m 75.87 -46.66 0.56 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.719 0.808 . . . . 0.0 110.336 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -92.11 74.59 5.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 123.175 1.464 . . . . 0.0 111.09 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -159.52 152.98 22.48 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -127.11 -161.88 1.11 Allowed 'General case' 0 C--N 1.268 -2.972 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.06 -30.55 69.29 Favored 'General case' 0 C--O 1.202 -1.405 0 CA-C-N 118.043 0.383 . . . . 0.0 111.004 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.3 -48.54 77.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.506 0.669 . . . . 0.0 111.484 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 9.5 mp0 -71.26 -45.4 63.26 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.201 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 23.4 ttmm -55.59 -40.88 72.61 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 114.286 -1.324 . . . . 0.0 109.767 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.22 -36.71 83.74 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.377 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -74.51 -32.75 62.61 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 122.973 0.509 . . . . 0.0 111.054 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.6 m-30 -68.78 -45.36 71.55 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 58.5 mt-10 -67.97 -32.43 72.85 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.628 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.36 79.28 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.796 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.78 96.4 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 96.4 mt -59.25 -41.91 89.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.359 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 -35.28 67.98 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -66.27 -44.7 82.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -41.61 95.66 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.32 -49.92 75.99 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 122.775 0.43 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.604 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.68 -28.63 63.86 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.603 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.52 -40.63 76.8 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 122.312 1.053 . . . . 0.0 108.33 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -71.81 -31.02 66.12 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.798 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.18 -38.8 82.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 106' ' ' GLN . 79.8 mt -54.95 -48.37 73.28 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.589 173.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -61.46 -38.15 86.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.544 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.28 68.01 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.498 ' O ' HG21 ' A' ' 109' ' ' VAL . 1.2 pp -70.45 -33.82 71.73 Favored 'General case' 0 C--O 1.174 -2.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -59.12 -44.11 91.98 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 124.374 1.069 . . . . 0.0 109.187 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.33 -34.29 77.65 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.335 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -67.35 -42.04 84.18 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.759 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.679 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 60.1 t -70.56 -38.74 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.337 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 9.7 mm100 -49.68 -46.93 50.42 Favored 'General case' 0 CA--C 1.489 -1.399 0 C-N-CA 123.353 0.661 . . . . 0.0 110.307 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 113' ' ' GLU . 7.4 t70 -87.5 -50.37 6.58 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 117.246 -1.781 . . . . 0.0 110.967 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 p 60.73 -25.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 127.752 2.421 . . . . 0.0 115.924 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 111' ' ' ASP . 2.2 mp0 . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.094 1.358 . . . . 0.0 109.428 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 CA--C 1.496 -1.122 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 p -61.89 -49.75 74.97 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.55 78.78 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 p -75.34 -35.28 61.2 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.14 0.495 . . . . 0.0 111.781 -176.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.09 -36.31 77.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.55 -34.62 77.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -95.43 14.76 21.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.451 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 27.1 t60 -72.77 -29.38 63.26 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 1.4 mp0 -63.28 -40.87 98.59 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.294 0.568 . . . . 0.0 110.888 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.0 -34.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.532 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -66.45 -39.61 88.96 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.299 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 14.1 ptmm? -66.86 -36.47 82.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.55 0.691 . . . . 0.0 109.545 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.72 -37.39 82.16 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.83 -37.01 82.84 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 47.3 mt -65.48 -44.48 87.01 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 176.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.66 -39.01 82.99 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.129 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.538 ' O ' HG21 ' A' ' 38' ' ' VAL . 26.6 mm -61.81 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.498 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 26.0 m -62.85 -44.07 97.12 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 121.484 0.659 . . . . 0.0 110.39 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -70.81 -30.55 67.03 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.43 -32.8 74.34 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 34' ' ' ILE . 68.8 t -62.37 -50.64 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.606 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -55.18 -42.58 73.38 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.499 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.17 -45.67 55.2 Favored 'General case' 0 N--CA 1.402 -2.866 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.493 -173.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.422 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -68.9 -34.24 75.09 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 38' ' ' VAL . 2.8 tp10 -61.81 -40.91 96.91 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -13.18 50.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.437 1.113 . . . . 0.0 110.081 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 2.6 m -83.61 -33.61 25.29 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.082 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.71 -46.08 0.79 Allowed Glycine 0 CA--C 1.478 -2.227 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.024 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.501 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 32.0 t30 67.47 60.9 0.47 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.861 0.839 . . . . 0.0 111.25 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -72.01 -50.43 28.69 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.518 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.69 -0.3 1.75 Allowed 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.22 -36.95 85.74 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.923 -172.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 3.3 tppp? -62.17 -49.54 75.41 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -62.86 -44.62 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.026 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -59.82 -47.13 86.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 34.4 tp -65.14 -39.33 92.87 Favored 'General case' 0 N--CA 1.408 -2.54 0 CA-C-O 121.145 0.498 . . . . 0.0 111.928 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 76.4 mt -69.96 -33.91 72.7 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.079 -0.649 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 97.4 mtt180 -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.0 tp10 -62.06 -43.93 97.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.273 1.029 . . . . 0.0 109.185 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' HB2' HD13 ' A' ' 102' ' ' LEU . 3.8 pp -71.3 -29.98 65.7 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.1 m -62.9 -39.21 93.81 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 122.241 1.019 . . . . 0.0 109.187 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.62 -38.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.802 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 20.3 m -61.68 -46.97 87.43 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.632 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.27 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.34 80.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.703 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.802 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.281 9.3 p90 -76.68 -31.47 57.28 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.207 -178.596 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -66.65 -33.97 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.195 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.56 -34.35 76.87 Favored 'General case' 0 N--CA 1.435 -1.194 0 O-C-N 121.799 -0.563 . . . . 0.0 109.498 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.25 93.66 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.15 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 p -69.69 -32.36 70.91 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.1 mtm180 -67.83 -41.27 83.26 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.971 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -61.51 -26.79 66.96 Favored Glycine 0 N--CA 1.431 -1.671 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.0 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -70.35 -46.18 64.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.34 -39.79 88.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.736 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.7 -36.57 81.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.571 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 16.8 mmm180 -71.12 -39.91 71.76 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.98 0.419 . . . . 0.0 110.583 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.95 -29.93 69.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 75' ' ' LEU . 5.6 tt -60.87 -23.83 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.655 1.182 . . . . 0.0 109.276 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.59 -6.49 58.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.76 -54.3 20.39 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.9 m 75.79 3.76 3.84 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 122.355 1.074 . . . . 0.0 110.511 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.51 -26.13 63.45 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.744 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.553 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 5.7 mp -97.43 -178.65 4.22 Favored 'General case' 0 N--CA 1.41 -2.441 0 C-N-CA 124.382 1.073 . . . . 0.0 110.845 -176.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.7 t70 -108.76 -158.85 0.66 Allowed 'General case' 0 C--N 1.267 -3.016 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.421 -172.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -57.77 -27.54 63.16 Favored 'General case' 0 C--O 1.191 -1.998 0 CA-C-O 121.114 0.483 . . . . 0.0 109.98 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.249 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.659 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.8 pt-20 -71.13 -54.15 12.07 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 118.317 -1.353 . . . . 0.0 108.892 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 13.3 mptt -56.03 -43.63 77.99 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.948 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 83.4 t80 -68.81 -33.03 73.17 Favored 'General case' 0 N--CA 1.419 -1.982 0 O-C-N 123.888 0.742 . . . . 0.0 111.691 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -73.73 -37.42 65.11 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.659 ' CZ ' ' HB2' ' A' ' 84' ' ' GLU . 5.7 m-85 -76.38 -44.04 38.04 Favored 'General case' 0 CA--C 1.464 -2.335 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 12.3 pt-20 -66.68 -31.96 72.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.78 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.28 70.43 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.13 -34.65 73.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.2 mt -63.32 -38.51 91.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.01 62.36 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.49 0.494 . . . . 0.0 110.177 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.3 m -64.48 -47.12 80.17 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.507 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -68.17 -39.86 88.17 Favored Glycine 0 N--CA 1.423 -2.169 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.424 -177.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.78 -42.09 77.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.301 0.55 . . . . 0.0 110.32 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.98 -42.4 89.87 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 102' ' ' LEU . 4.1 pp -71.33 -28.74 64.3 Favored 'General case' 0 C--O 1.201 -1.499 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.523 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -67.62 -40.82 84.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -63.86 -33.6 76.06 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.907 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.73 -36.36 70.45 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 98' ' ' LEU . 3.0 mm? -57.2 -46.21 83.08 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.67 -41.48 83.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.606 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.27 72.24 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 109' ' ' VAL . 1.1 pp -69.41 -34.46 74.52 Favored 'General case' 0 C--O 1.18 -2.602 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -59.97 -37.93 81.04 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 123.224 0.328 . . . . 0.0 111.353 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.54 -36.73 81.55 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -68.06 -41.16 82.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.862 0.839 . . . . 0.0 110.146 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.463 HG13 ' HD2' ' A' ' 50' ' ' LYS . 90.4 t -68.73 -38.46 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.803 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -62.85 -35.84 81.29 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.15 -35.13 79.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.637 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 t -63.75 -24.67 67.86 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 124.579 1.151 . . . . 0.0 111.968 177.46 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p30 . . . . . 0 CA--C 1.546 0.807 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -71.06 -44.58 65.47 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.159 0.89 . . . . 0.0 112.081 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . . . -68.71 -39.81 80.3 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 121.133 0.492 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -70.42 -33.82 71.79 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.166 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -68.75 -39.96 80.04 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.175 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HG2' ' HA ' ' A' ' 20' ' ' ALA . 16.0 ptm180 -77.6 -17.74 57.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.136 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -110.53 13.2 22.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.133 0.492 . . . . 0.0 111.168 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.22 -41.94 97.74 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.28 175.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.58 -34.57 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.363 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.67 -37.07 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 120.987 0.422 . . . . 0.0 110.102 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.73 -38.68 91.82 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.914 175.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.635 ' O ' HG12 ' A' ' 34' ' ' ILE . 46.9 m-85 -60.27 -42.56 95.66 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.195 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.55 -47.97 80.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.183 0.516 . . . . 0.0 110.07 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.48 -34.81 74.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.664 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.594 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 31.9 t-80 -64.94 -39.38 93.4 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.213 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 30' ' ' PHE . 48.4 mm -62.76 -46.58 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -60.41 -40.5 91.22 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.378 0.608 . . . . 0.0 109.782 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.57 -46.78 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.212 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 9.5 mm-40 -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.489 0.493 . . . . 0.0 109.917 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 34' ' ' ILE . 56.1 t -65.27 -50.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.81 -37.79 87.22 Favored 'General case' 0 C--O 1.271 2.235 0 CA-C-O 122.201 1.001 . . . . 0.0 109.723 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.02 -47.4 84.92 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.046 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 4.6 pp -66.69 -33.73 76.29 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 74.6 mm-40 -59.32 -29.57 67.73 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 123.671 0.607 . . . . 0.0 110.484 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -106.47 -11.83 15.81 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.074 -1.05 . . . . 0.0 112.872 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -107.02 -43.84 4.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -172.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.8 -88.88 0.07 OUTLIER Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.241 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 109.19 -3.9 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 128.185 2.594 . . . . 0.0 111.333 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -64.22 -48.82 74.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -166.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.3 p-10 -126.1 -10.36 6.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.595 0.712 . . . . 0.0 109.904 176.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -68.46 -36.85 79.59 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 125.408 1.483 . . . . 0.0 112.883 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 11.2 tptm -67.38 -47.34 70.65 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -176.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.38 79.44 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.065 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 31.2 ttt180 -63.5 -48.89 75.74 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 124.515 1.126 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 3.9 pp -67.86 -31.53 71.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.5 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 69.7 mt -64.16 -34.26 77.66 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 121.531 0.681 . . . . 0.0 110.114 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 ttt180 -69.25 -36.31 77.01 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.16 -34.82 71.33 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.771 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HB2' HD23 ' A' ' 102' ' ' LEU . 3.8 pp -71.39 -32.72 68.78 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.5 m -62.37 -38.46 89.68 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 123.724 0.81 . . . . 0.0 110.751 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 55' ' ' ARG . 74.0 t -70.66 -39.08 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 175.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.792 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.8 m -61.26 -41.93 97.77 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 122.581 1.181 . . . . 0.0 109.548 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -63.62 -33.12 74.91 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.832 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.56 60.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.447 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.792 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.368 3.4 p90 -72.04 -31.26 65.99 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.211 -0.996 . . . . 0.0 113.605 177.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 HG13 HD12 ' A' ' 98' ' ' LEU . 14.8 mm -65.53 -40.86 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.399 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.5 -43.56 98.65 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.93 -44.01 98.4 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.635 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -71.75 -36.8 70.54 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.776 -0.249 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HA ' ' CD2' ' A' ' 71' ' ' PHE . 39.7 ptt180 -69.7 -33.35 72.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.697 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.53 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -67.65 -27.28 73.6 Favored Glycine 0 N--CA 1.429 -1.808 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -71.06 -38.72 72.48 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 68' ' ' ARG . 20.2 m-85 -64.97 -40.65 95.31 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.98 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 15.7 mm100 -56.58 -42.0 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.481 0.488 . . . . 0.0 109.868 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -62.4 -43.61 98.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 176.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 40.4 mt-10 -68.19 -31.32 70.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.008 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 96.1 mt -71.85 -17.82 62.11 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 3.7 mmmp? -90.78 -13.03 34.73 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' CZ ' ' HG2' ' A' ' 74' ' ' GLU . 99.2 mtt180 -66.81 -20.67 65.98 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.327 0.584 . . . . 0.0 109.882 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 m 73.54 -32.59 0.24 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.52 1.528 . . . . 0.0 114.204 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.91 -76.13 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.001 0.52 . . . . 0.0 111.649 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mp 58.38 171.87 0.06 Allowed 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.525 1.631 . . . . 0.0 114.998 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.93 152.14 51.27 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-N 111.828 -2.442 . . . . 0.0 104.679 168.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.45 -40.11 93.27 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 118.425 0.557 . . . . 0.0 110.774 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.57 -38.31 80.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.12 0.486 . . . . 0.0 110.477 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.2 -41.41 85.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.444 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 27.4 ttpp -60.94 -39.27 88.82 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.16 -34.22 74.67 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.246 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -74.1 -39.43 63.38 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.077 1.351 . . . . 0.0 109.028 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.1 m-85 -69.12 -45.32 70.46 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.21 -31.99 72.75 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.372 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.08 74.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.363 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.82 74.99 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.452 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -58.25 -41.91 85.23 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.66 -29.01 62.06 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.4 m -75.33 -39.69 59.16 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.73 -41.07 89.74 Favored Glycine 0 N--CA 1.415 -2.727 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 26.2 t70 -57.71 -49.3 76.97 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 122.738 0.415 . . . . 0.0 110.563 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 78.8 mt -62.75 -46.35 88.47 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 HD12 HG13 ' A' ' 64' ' ' ILE . 4.6 pp -70.67 -26.89 63.64 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.292 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.53 -38.4 84.16 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 5.1 mptp? -68.9 -32.84 72.77 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.995 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.32 -45.81 75.35 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 57' ' ' LEU . 71.9 mt -60.3 -51.04 71.22 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.543 1.137 . . . . 0.0 111.582 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.419 ' O ' ' HE2' ' A' ' 107' ' ' LYS . 67.0 mttm -69.95 -35.22 74.32 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.87 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.24 71.15 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.006 0.431 . . . . 0.0 110.274 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.428 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -71.22 -33.88 70.31 Favored 'General case' 0 C--O 1.184 -2.387 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' HD23 ' A' ' 54' ' ' LEU . 21.6 tm0? -63.98 -38.53 91.43 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -68.45 -33.03 73.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.295 175.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -68.71 -41.99 78.32 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 105' ' ' LEU . 94.4 t -63.65 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.37 -33.25 75.53 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.868 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.42 -42.65 68.02 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.787 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -65.48 -31.06 71.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.098 0 O-C-N 125.082 1.489 . . . . 0.0 112.231 173.002 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 p30 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -66.06 -25.65 67.13 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.927 0.394 . . . . 0.0 111.6 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.32 80.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.687 0.28 . . . . 0.0 110.83 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 p -73.35 -29.0 62.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.327 0.584 . . . . 0.0 110.918 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -67.33 -35.2 78.92 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.155 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -72.64 -48.53 38.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.971 174.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.1 81.81 5.06 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.838 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 -27.38 2.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -73.35 -39.6 65.08 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.9 tp -69.68 -34.23 60.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.703 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 9.4 tp10 -63.35 -48.19 79.0 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.224 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 19.7 ptpt -64.97 -36.43 84.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.304 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.1 m-85 -57.7 -44.12 85.65 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 123.161 0.288 . . . . 0.0 110.508 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.68 -45.91 85.0 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.803 0.69 . . . . 0.0 109.248 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 21.4 mt -63.58 -44.87 92.8 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 122.084 0.945 . . . . 0.0 109.794 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 61.1 m-70 -67.68 -36.24 80.32 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.629 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 38' ' ' VAL . 94.4 mt -62.45 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 123.708 0.63 . . . . 0.0 109.785 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -61.5 -45.67 93.26 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 121.589 0.709 . . . . 0.0 110.512 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.9 -36.98 81.14 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.9 tp10 -59.91 -41.2 91.17 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 72.9 t -58.7 -50.43 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 C-N-CA 124.247 1.019 . . . . 0.0 109.355 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.2 -40.64 94.47 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-O 121.957 0.884 . . . . 0.0 110.846 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.41 -42.99 82.33 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.501 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.35 -34.61 76.4 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 70.0 mt-10 -62.45 -36.57 82.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -12.65 48.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.091 0.948 . . . . 0.0 111.099 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.453 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 5.9 m -91.02 -37.63 13.33 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.247 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.88 -49.9 0.3 Allowed Glycine 0 C--O 1.213 -1.193 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 75.4 12.78 3.17 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 126.436 1.895 . . . . 0.0 112.25 173.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -63.28 -50.34 70.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.241 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.03 -26.74 3.37 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.002 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.82 -37.89 83.54 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.7 tttm -67.1 -49.37 65.2 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.448 -176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.96 93.03 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.5 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -69.24 -41.28 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.619 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.75 -38.08 89.77 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 122.92 0.488 . . . . 0.0 110.991 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 64.3 mt -64.62 -33.22 75.43 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.196 0.522 . . . . 0.0 110.427 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.98 -33.62 74.98 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 59' ' ' VAL . 31.1 tt0 -66.49 -38.79 88.03 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.372 176.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 3.1 pp -68.26 -31.11 70.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.398 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 m -64.37 -38.1 89.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.38 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -73.95 -37.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.955 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.733 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 35.6 p -61.97 -41.15 97.68 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.203 0.525 . . . . 0.0 112.236 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' O ' HG21 ' A' ' 64' ' ' ILE . 13.2 pt-20 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.0 96.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.733 ' CE2' ' HA ' ' A' ' 60' ' ' SER 0.252 14.2 p90 -76.21 -31.84 58.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 117.975 -1.49 . . . . 0.0 111.827 178.663 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -66.7 -37.32 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.75 -36.78 81.15 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 122.377 -0.202 . . . . 0.0 111.456 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.87 92.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -71.0 -35.31 72.03 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 65.7 mtp180 -69.5 -37.67 77.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.744 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.91 -26.63 70.28 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.611 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 81.5 t80 -70.3 -48.17 57.86 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -57.98 -38.54 76.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.974 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 15.3 mm100 -64.79 -45.48 86.12 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.469 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 4.8 ptm180 -70.6 -32.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.378 0.608 . . . . 0.0 110.612 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.01 -29.55 66.64 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.152 0.981 . . . . 0.0 109.305 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -71.64 -15.13 62.23 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.493 0.663 . . . . 0.0 110.099 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 72' ' ' GLN . 94.4 mttt -103.48 -5.33 22.93 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.222 1.009 . . . . 0.0 110.362 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' A' ' 79' ' ' ASP . 26.9 tpt180 -52.08 -27.44 13.95 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.704 1.601 . . . . 0.0 114.401 -174.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 m 72.53 -38.25 0.41 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.02 0.928 . . . . 0.0 110.607 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 77' ' ' ARG . 34.5 t70 -87.76 68.71 9.48 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.291 1.043 . . . . 0.0 109.006 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 84' ' ' GLU . 2.6 pt? -162.69 154.4 18.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.416 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.69 -173.61 2.63 Favored 'General case' 0 C--N 1.275 -2.654 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 4.3 pp -57.69 -29.48 64.7 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 123.416 0.447 . . . . 0.0 111.67 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.1 -48.22 76.57 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 121.838 0.827 . . . . 0.0 110.246 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -70.37 -45.07 66.8 Favored 'General case' 0 N--CA 1.418 -2.041 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.705 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 29.4 mtpp -56.08 -41.26 74.88 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.161 177.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.88 -34.26 77.72 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 123.769 0.668 . . . . 0.0 111.575 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.1 -40.79 62.47 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.013 0.925 . . . . 0.0 109.915 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 4.4 m-85 -74.04 -39.05 63.82 Favored 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.46 -34.86 79.28 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.64 -44.43 70.62 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.995 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.83 79.21 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.281 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 81.9 mt -60.14 -41.75 93.38 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 122.386 0.274 . . . . 0.0 110.763 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.95 -35.88 74.85 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 123.407 0.442 . . . . 0.0 110.622 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 54.7 m -65.41 -49.93 67.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-O 121.863 0.839 . . . . 0.0 109.186 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.71 -43.47 96.27 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' CG ' ' HZ3' ' A' ' 100' ' ' LYS . 13.1 t70 -60.38 -44.83 95.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.532 0.333 . . . . 0.0 111.348 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 94' ' ' THR . 2.1 pp -63.63 -48.2 78.25 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.326 -175.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.02 -27.63 63.82 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.413 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -69.5 -31.33 69.51 Favored 'General case' 0 N--CA 1.414 -2.252 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.575 176.152 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.38 -35.06 70.95 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.741 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.97 -50.37 70.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.531 0.732 . . . . 0.0 109.628 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -38.78 92.37 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.777 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.75 75.37 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.497 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.43 -36.27 73.89 Favored 'General case' 0 C--O 1.187 -2.231 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.005 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.27 -45.93 89.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 O-C-N 123.719 0.637 . . . . 0.0 110.765 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.02 -32.38 72.71 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 123.376 0.423 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -69.03 -44.2 73.19 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.235 0.614 . . . . 0.0 110.178 175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 105' ' ' LEU . 92.6 t -68.48 -39.84 81.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.379 0.609 . . . . 0.0 109.932 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.24 -45.63 87.41 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.35 -41.32 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.686 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -57.59 -32.73 67.47 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 122.867 0.467 . . . . 0.0 112.104 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 117.617 -1.182 . . . . 0.0 112.756 -178.056 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 55.7 t30 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -63.19 -25.35 68.3 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 121.557 -0.715 . . . . 0.0 111.826 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.2 69.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 122.087 -0.383 . . . . 0.0 110.357 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -70.73 -32.48 69.68 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.38 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 29.2 mt-30 -58.61 -44.35 89.89 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.674 0.749 . . . . 0.0 110.643 175.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -76.14 -28.2 57.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.422 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -96.66 1.01 50.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.389 0.614 . . . . 0.0 112.062 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.74 -24.25 66.92 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.7 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.38 -41.87 93.26 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.043 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mp -71.65 -34.42 52.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.44 -41.25 89.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.28 -46.5 88.38 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.608 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -57.96 -45.28 86.92 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 123.191 0.307 . . . . 0.0 111.64 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 81.4 mt -61.78 -45.43 93.9 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.357 0.411 . . . . 0.0 110.72 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.256 4.4 pp -67.8 -35.26 78.34 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.854 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -61.05 -51.9 67.21 Favored 'General case' 0 CA--C 1.476 -1.876 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 38' ' ' VAL . 82.7 mt -61.29 -40.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.326 -176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -61.58 -45.09 95.62 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.341 0.591 . . . . 0.0 109.819 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -65.0 -36.86 85.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.827 0.851 . . . . 0.0 110.38 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -33.91 68.7 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.149 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 34' ' ' ILE . 74.0 t -59.64 -41.91 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.87 -42.58 94.72 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.205 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.84 -47.85 81.59 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.057 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.514 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.4 pp -65.23 -33.72 76.66 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.353 0.261 . . . . 0.0 111.103 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.18 -28.04 66.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 123.424 0.452 . . . . 0.0 111.697 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.84 -12.55 16.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.396 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.514 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 59.9 m -99.76 -67.72 0.84 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.194 -175.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.74 70.84 0.11 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 40.5 p30 -61.84 -33.13 73.62 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -173.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -31.38 70.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -168.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.07 -44.1 3.64 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.931 0.872 . . . . 0.0 110.284 -174.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.91 -35.55 74.67 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.411 -1.268 . . . . 0.0 113.087 -172.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.48 -40.79 92.55 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.548 -176.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.86 88.82 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.763 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -50.27 73.48 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.536 0.684 . . . . 0.0 109.257 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.16 -33.55 73.61 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.717 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 30.0 mt -63.95 -33.67 76.25 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.153 175.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -69.13 -31.47 70.17 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 59' ' ' VAL . 33.8 tt0 -67.01 -29.11 68.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.356 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 34' ' ' ILE 0.295 3.0 pp -74.93 -30.83 61.36 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 118.27 -1.372 . . . . 0.0 110.408 173.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 14.7 m -63.36 -36.37 83.47 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 121.5 0.667 . . . . 0.0 110.554 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 56' ' ' GLU . 7.9 p -70.8 -37.0 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.234 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.848 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 26.3 m -60.94 -31.06 70.61 Favored 'General case' 0 C--O 1.257 1.471 0 CA-C-O 122.896 1.331 . . . . 0.0 110.92 175.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.613 ' HB3' ' O ' ' A' ' 58' ' ' THR . 7.9 tp10 -67.66 -39.42 84.53 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 112.627 -2.078 . . . . 0.0 107.039 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.0 66.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.303 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.848 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 3.0 m-85 -65.22 -44.71 87.43 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 119.179 -1.008 . . . . 0.0 108.328 175.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.4 mm -61.92 -49.48 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.41 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -56.18 -45.91 79.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.155 0.284 . . . . 0.0 111.456 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.52 93.65 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 m -72.36 -32.81 66.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 42.1 mtp180 -69.64 -43.15 73.22 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.611 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.92 -28.52 72.85 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.475 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 56.7 t80 -66.38 -51.91 52.27 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.57 -38.56 87.94 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.344 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.58 -50.3 70.44 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 119.105 -0.474 . . . . 0.0 112.175 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.14 -30.96 68.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.891 -1.523 . . . . 0.0 112.443 177.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 77' ' ' ARG . 15.4 mm-40 -64.79 -30.27 71.27 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.6 tt -69.62 -16.45 63.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 122.057 0.932 . . . . 0.0 109.525 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -97.62 -5.98 34.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.425 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 41.0 mmt180 -62.96 -26.67 68.94 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m 75.16 -13.2 0.87 Allowed 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 124.288 1.035 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -31.14 65.71 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 75' ' ' LEU . 2.7 pt? -59.21 154.64 15.8 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.355 1.55 . . . . 0.0 110.927 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -117.04 177.31 4.76 Favored 'General case' 1 C--N 1.232 -4.508 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.97 -30.14 65.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 119.017 0.826 . . . . 0.0 109.802 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.04 -49.14 78.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.606 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 31.6 mm-40 -70.78 -39.4 73.22 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HB2' HD13 ' A' ' 80' ' ' LEU . 56.5 tttm -57.52 -38.73 75.14 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.001 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.56 -35.07 78.32 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.787 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -74.29 -32.34 62.86 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 123.628 0.771 . . . . 0.0 111.218 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.4 m-85 -68.28 -48.89 63.82 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.2 -31.64 72.6 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.958 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.15 79.34 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.09 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.38 79.6 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.548 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 84.7 mt -58.85 -40.19 83.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.58 -35.27 72.95 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.696 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -70.43 -45.37 66.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -65.98 -36.08 91.54 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.591 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.46 -42.44 95.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 111.43 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 84.4 mt -64.22 -49.64 71.17 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.456 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.46 -26.15 63.51 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.367 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 6.4 tt -63.54 -43.87 95.83 Favored 'General case' 0 C--O 1.253 1.249 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -69.55 -33.38 72.69 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.811 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.58 -31.17 61.97 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.816 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.88 -47.11 87.07 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 124.528 1.131 . . . . 0.0 108.039 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.41 ' HZ2' ' CD2' ' A' ' 99' ' ' LEU . 60.0 mttp -69.22 -33.75 73.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.073 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.32 -43.57 66.79 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 121.046 0.45 . . . . 0.0 110.492 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.03 -33.75 74.13 Favored 'General case' 0 C--O 1.186 -2.273 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.67 -40.87 84.76 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 123.469 0.708 . . . . 0.0 110.08 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.3 -33.2 73.91 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.945 0.402 . . . . 0.0 110.183 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -69.14 -43.99 73.25 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.787 0.803 . . . . 0.0 109.336 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.496 ' CG1' ' HD3' ' A' ' 50' ' ' LYS . 54.6 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.675 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.99 -32.56 73.04 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.566 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.6 -31.01 61.9 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 m -75.56 -28.18 58.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.443 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 46' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.42 -1.929 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.408 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . 19.0 m120 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 120.983 0.421 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -63.52 -32.99 74.61 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.92 84.19 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 p -74.29 -39.09 63.16 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.42 -35.67 80.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -76.84 -25.87 53.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -85.07 -10.57 56.75 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.609 0.719 . . . . 0.0 111.058 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -73.4 -17.82 61.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.13 -41.91 99.41 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.19 -34.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.9 -48.15 82.86 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.623 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -66.19 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.383 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -65.64 -41.71 92.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' HG22 ' A' ' 34' ' ' ILE . 5.9 tt -60.91 -42.88 98.92 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 123.746 0.818 . . . . 0.0 109.743 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.13 -35.55 74.16 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.794 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.9 t60 -71.96 -37.17 69.99 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.035 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.8 tt -69.14 -30.71 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.5 m -65.13 -37.5 87.65 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -64.61 -36.11 83.19 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.219 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 10.3 mm-40 -61.74 -36.12 80.07 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 34' ' ' ILE . 59.4 t -63.77 -44.28 98.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.75 -39.95 95.53 Favored 'General case' 0 C--O 1.266 1.922 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.191 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 12.5 t70 -62.05 -45.15 94.81 Favored 'General case' 0 N--CA 1.408 -2.545 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.175 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 29.1 mt -65.3 -35.9 82.43 Favored 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.5 -29.49 67.89 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.839 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -106.19 -12.22 15.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.839 176.109 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -108.66 -80.97 0.57 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.895 0.878 . . . . 0.0 113.022 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.93 91.32 0.14 Allowed Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.55 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 3.5 p-10 -93.82 -11.08 32.0 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -57.88 -45.62 86.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.74 -29.31 3.43 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.327 1.061 . . . . 0.0 111.096 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' A' ' 52' ' ' ARG . 36.9 mt-10 -61.57 -32.12 72.19 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 14.8 tptm -56.63 -49.3 75.39 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.721 0.772 . . . . 0.0 109.148 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.75 93.94 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.045 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 41.9 ttp180 -61.24 -43.98 98.0 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.878 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -63.59 -36.35 83.52 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.555 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 109' ' ' VAL . 82.7 mt -66.78 -34.67 78.34 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.938 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 67.7 ttt180 -61.35 -33.48 73.7 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.13 -37.51 81.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.216 0.532 . . . . 0.0 109.873 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.318 3.6 pp -73.37 -29.04 62.37 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.846 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.7 m -60.66 -42.14 96.44 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.99 -40.9 88.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.775 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 17.8 m -61.61 -46.01 91.65 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' HG22 ' A' ' 64' ' ' ILE . 10.5 pt-20 -67.84 -29.27 68.37 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.159 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.02 88.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.775 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.261 12.3 p90 -76.46 -32.13 58.21 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.861 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.453 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.96 -38.78 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.03 -40.92 82.79 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.31 -34.92 89.97 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.372 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 64.8 m -68.4 -35.36 77.55 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -69.95 -38.32 76.1 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.264 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.14 -29.0 73.71 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 174.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.563 ' HB3' ' O ' ' A' ' 67' ' ' SER . 29.4 t80 -68.85 -45.1 71.95 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.388 1.075 . . . . 0.0 108.327 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.09 -39.52 93.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.413 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.55 -37.48 73.16 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.955 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 9.8 mpt_? -69.51 -44.31 71.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.261 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 20.9 mm-40 -61.1 -29.79 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.019 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.35 -17.63 64.83 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.346 0.593 . . . . 0.0 110.622 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -100.73 -5.09 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.141 0.576 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' C ' ' H ' ' A' ' 79' ' ' ASP . 29.9 ttt180 -53.67 -27.7 29.13 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.892 1.277 . . . . 0.0 113.86 -175.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m 72.73 -37.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.521 1.128 . . . . 0.0 111.007 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 77' ' ' ARG . 6.9 t70 -84.54 68.44 10.32 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 122.454 1.121 . . . . 0.0 109.172 172.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -163.22 159.12 22.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -131.0 -170.38 2.35 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 174.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 83' ' ' LEU . 3.7 pp -55.31 -30.08 59.5 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 123.655 0.597 . . . . 0.0 111.725 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.5 tm? -58.98 -47.44 85.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.5 0.666 . . . . 0.0 109.516 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 14.0 mm-40 -70.36 -40.63 73.92 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.978 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 10.0 mtpm? -56.34 -42.9 78.49 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -58.34 -33.5 69.6 Favored 'General case' 0 C--O 1.205 -1.267 0 O-C-N 124.358 1.036 . . . . 0.0 111.62 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.408 ' OD1' ' HB3' ' A' ' 18' ' ' ASN . 32.6 m-80 -74.48 -39.91 62.17 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 123.716 0.806 . . . . 0.0 109.9 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.623 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.6 m-85 -70.57 -48.69 54.08 Favored 'General case' 0 CA--C 1.472 -2.023 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 8.1 pt-20 -67.43 -30.51 70.27 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.92 78.2 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 118.245 -1.382 . . . . 0.0 109.545 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.39 68.61 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.156 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.3 mt -65.84 -41.46 91.71 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.801 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.55 63.13 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.5 m -66.23 -41.85 89.46 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.053 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.93 -37.37 92.13 Favored Glycine 0 C--O 1.198 -2.122 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.519 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 18.0 t70 -61.64 -47.59 84.7 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 122.856 0.462 . . . . 0.0 112.193 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 94' ' ' THR . 3.2 pp -66.12 -45.36 81.38 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.082 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.14 -27.78 63.81 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.167 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.6 tt -69.52 -37.53 77.17 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -64.73 -33.09 75.15 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.023 174.068 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -44.26 67.93 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.546 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.99 -47.14 78.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.529 0.732 . . . . 0.0 109.517 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.79 -48.82 77.49 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.91 87.41 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 120.693 0.282 . . . . 0.0 110.63 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 ' O ' HG21 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.96 -34.02 71.03 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.35 -43.59 92.79 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -68.03 -32.87 73.54 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.188 175.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -69.08 -42.23 76.49 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.065 0.936 . . . . 0.0 109.98 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 105' ' ' LEU . 80.3 t -66.24 -44.72 91.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.694 177.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.32 -32.84 72.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 174.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 13.9 t70 -70.33 -33.88 72.0 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.846 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 p -83.58 -25.98 30.44 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.319 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.242 0.696 0 O-C-N 124.909 1.38 . . . . 0.0 111.044 174.839 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -62.99 -42.44 99.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.69 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.26 0.553 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -65.62 -41.11 93.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.351 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.53 -38.0 89.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.403 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -66.79 -30.88 71.19 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.422 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 3.7 m-30 -84.3 -5.97 59.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.993 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.44 -19.58 60.92 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.92 -30.64 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.265 0.555 . . . . 0.0 110.462 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mm -78.34 -36.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.1 tp10 -59.89 -39.2 84.53 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.523 172.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -65.94 -39.69 90.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.563 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.7 m-85 -61.99 -41.6 98.22 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 121.013 0.435 . . . . 0.0 110.174 173.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.67 -35.32 77.62 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.262 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 51.7 mt -66.36 -45.54 79.8 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 42.4 t-80 -58.48 -45.92 87.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 113.803 -1.544 . . . . 0.0 110.79 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 38' ' ' VAL . 88.0 mt -62.26 -46.46 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 O-C-N 123.398 0.436 . . . . 0.0 110.21 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -66.03 -37.74 86.63 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -63.53 -35.67 81.26 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.733 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 22.1 mm-40 -70.83 -38.92 73.27 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 123.244 0.34 . . . . 0.0 110.724 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.702 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 21.2 t -60.98 -41.22 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 121.628 0.728 . . . . 0.0 109.085 172.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 29.2 t70 -65.37 -43.15 91.65 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 122.137 0.97 . . . . 0.0 110.59 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 14.5 t70 -69.21 -30.62 68.83 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.814 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.702 ' CD2' ' HA ' ' A' ' 38' ' ' VAL . 4.3 pp -69.92 -35.44 74.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.554 -0.717 . . . . 0.0 111.11 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 43.9 mt-10 -64.15 -31.03 72.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.094 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 40' ' ' ASP . 12.4 ptmm? -100.13 -22.49 15.16 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.3 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 86.1 m -153.25 -76.51 0.12 Allowed 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -164.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -93.43 64.38 1.91 Allowed Glycine 0 CA--C 1.489 -1.546 0 N-CA-C 115.061 0.785 . . . . 0.0 115.061 -166.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -103.74 18.59 21.59 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.51 -49.87 56.44 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.297 0.57 . . . . 0.0 111.475 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -150.27 -16.19 0.25 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.332 1.063 . . . . 0.0 109.889 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 22.1 mp0 -61.67 -35.86 79.2 Favored 'General case' 0 C--O 1.194 -1.834 0 C-N-CA 125.469 1.508 . . . . 0.0 112.54 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.62 ' NZ ' ' HB2' ' A' ' 113' ' ' GLU . 1.8 tmmm? -63.19 -49.37 74.51 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.09 84.81 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.214 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.461 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' ILE . 40.9 tp -63.92 -37.58 87.93 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 87.4 mt -62.03 -33.29 74.09 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.16 0.505 . . . . 0.0 110.386 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 59' ' ' VAL . 40.3 mmt180 -68.39 -36.95 79.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.46 -37.63 86.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 4.1 pp -72.31 -29.97 64.35 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 119.964 -0.695 . . . . 0.0 110.772 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -61.62 -39.6 91.87 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-O 121.931 0.872 . . . . 0.0 108.789 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 55' ' ' ARG . 44.1 t -67.42 -40.44 84.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.793 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.845 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 21.5 t -59.89 -48.75 80.41 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.235 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HA ' HG23 ' A' ' 64' ' ' ILE . 12.6 pt-20 -64.49 -29.99 71.02 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.63 76.95 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.845 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.273 5.9 p90 -76.56 -32.49 58.2 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.993 -178.098 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 61' ' ' GLU . 14.8 tt -68.21 -34.51 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.308 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.01 -44.6 94.46 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.02 91.14 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.586 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -69.26 -43.63 73.55 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 110.012 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.98 -33.61 72.29 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.055 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.2 -30.18 77.18 Favored Glycine 0 N--CA 1.433 -1.502 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 173.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.38 -38.86 81.75 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 26.1 m-85 -63.52 -38.93 93.02 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.422 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -56.61 -43.11 79.84 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.45 0.469 . . . . 0.0 109.85 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.9 mpt_? -63.55 -41.96 98.41 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 6.3 mm-40 -64.47 -33.24 75.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.94 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.58 -16.09 63.75 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -103.47 -7.48 20.89 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.13 0.491 . . . . 0.0 111.229 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 74' ' ' GLU . 40.5 mmm-85 -62.03 -42.41 99.14 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m 77.79 -4.77 2.21 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.343 1.057 . . . . 0.0 109.072 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.24 -15.09 59.12 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.962 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -92.1 148.53 22.11 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.385 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -118.34 -162.43 0.89 Allowed 'General case' 1 C--N 1.232 -4.506 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 118.511 0.596 . . . . 0.0 110.472 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.1 -49.27 65.57 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.597 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 25.5 mp0 -70.44 -41.71 72.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.646 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -58.78 -37.77 77.04 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.122 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -65.52 -33.27 75.54 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -74.14 -38.59 63.7 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 124.441 1.096 . . . . 0.0 110.378 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.0 m-85 -70.59 -43.98 68.25 Favored 'General case' 0 CA--C 1.472 -2.041 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.75 -32.36 72.91 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.78 90.74 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.638 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.43 70.22 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.524 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.4 mt -58.63 -42.88 89.31 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 122.038 0.135 . . . . 0.0 110.688 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.01 -39.21 75.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.116 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.7 m -66.51 -43.66 84.69 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.985 0.898 . . . . 0.0 109.348 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' A' ' 64' ' ' ILE . . . -68.48 -41.32 85.17 Favored Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.337 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.32 -45.18 89.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.813 0.307 . . . . 0.0 110.481 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.69 -45.0 92.01 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.5 pp -71.4 -27.46 63.33 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.033 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.93 -38.56 79.6 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -66.11 -33.38 75.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.487 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.64 -35.93 67.89 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.833 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.9 mt -58.16 -48.16 81.14 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.301 0.64 . . . . 0.0 110.942 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HA ' HE21 ' A' ' 106' ' ' GLN . 22.3 pttp -71.81 -34.71 69.58 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.352 -0.939 . . . . 0.0 112.608 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.55 71.92 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.69 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -38.31 73.21 Favored 'General case' 0 C--O 1.189 -2.094 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' A' ' 103' ' ' LYS . 11.1 pt20 -65.13 -31.76 73.11 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.153 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -68.31 -35.33 77.65 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.345 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -67.62 -45.3 75.8 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 109.687 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.483 HG11 ' HD3' ' A' ' 50' ' ' LYS . 69.2 t -67.17 -38.05 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 C-N-CA 123.914 0.886 . . . . 0.0 111.363 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -60.3 -39.85 88.41 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.03 -30.34 65.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.135 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 -40.93 72.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.103 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.62 ' HB2' ' NZ ' ' A' ' 50' ' ' LYS . 37.3 mt-10 . . . . . 0 CA--C 1.497 -1.072 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.492 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 2.7 m-20 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.9 p -79.75 -39.2 31.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.189 0.519 . . . . 0.0 112.267 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.25 72.84 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.492 ' OG1' ' HB3' ' A' ' 18' ' ' ASN . 42.2 p -65.06 -30.67 71.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.059 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.601 ' HA ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm0? -62.15 -37.48 85.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.168 178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -80.22 -25.02 39.82 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.352 0.596 . . . . 0.0 110.378 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -97.31 12.75 31.96 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.601 ' CE1' ' HA ' ' A' ' 22' ' ' GLN . 32.8 m170 -61.8 -39.76 92.85 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.328 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.06 -35.44 78.65 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.116 0.484 . . . . 0.0 110.742 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -75.5 -35.04 31.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 109.461 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.7 tt0 -66.55 -35.06 79.31 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 98.8 mttt -61.77 -41.32 97.55 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.35 -42.51 87.07 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 123.377 0.423 . . . . 0.0 111.097 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 65.8 tp -58.1 -45.75 86.68 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.021 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 27.4 mt -65.93 -42.42 90.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -57.68 -44.33 85.71 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.595 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' VAL . 90.3 mt -63.41 -45.92 96.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -63.27 -42.54 99.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 121.475 0.655 . . . . 0.0 110.931 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.246 0.546 . . . . 0.0 110.153 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.31 -31.76 73.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 34' ' ' ILE . 82.7 t -62.48 -45.83 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.834 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.92 -44.33 93.25 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 121.974 0.892 . . . . 0.0 109.919 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.535 ' HA ' ' HZ2' ' A' ' 43' ' ' LYS . 16.1 t70 -61.66 -47.3 85.97 Favored 'General case' 0 C--O 1.191 -1.988 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.134 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 42' ' ' GLU . 4.3 pp -64.38 -35.19 80.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' N ' HD13 ' A' ' 41' ' ' LEU . 41.3 mt-10 -69.68 -25.41 63.88 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HZ2' ' HA ' ' A' ' 40' ' ' ASP 0.358 0.2 OUTLIER -99.21 -12.29 20.55 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 118.469 -1.292 . . . . 0.0 112.769 175.419 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 14.6 m -88.28 -31.18 19.13 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 125.289 1.435 . . . . 0.0 112.17 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.13 -62.62 0.26 Allowed Glycine 0 C--O 1.217 -0.964 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.131 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.272 2.5 p-10 67.58 29.08 7.28 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.443 1.897 . . . . 0.0 113.274 174.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB2' ' NZ ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -68.4 -49.87 56.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.83 0.824 . . . . 0.0 109.465 178.233 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.8 -14.49 4.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.596 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.79 -35.03 75.43 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 124.074 0.95 . . . . 0.0 111.582 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 109' ' ' VAL . 50.7 tptt -62.29 -50.39 71.86 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.508 0.67 . . . . 0.0 109.223 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.03 76.15 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.684 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -61.37 -39.54 91.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.516 0.726 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.7 tp -69.59 -36.54 76.33 Favored 'General case' 0 N--CA 1.42 -1.96 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.771 177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 71.8 mt -62.3 -33.88 75.53 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.189 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -69.35 -33.8 73.63 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.19 -33.0 74.96 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.79 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.275 2.2 pp -74.57 -29.36 61.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.171 177.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 m -61.36 -35.97 78.92 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.01 -38.93 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.193 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.75 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 31.5 m -61.43 -48.47 81.03 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.489 0.662 . . . . 0.0 111.837 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.6 -29.15 69.71 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.417 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.69 96.82 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.047 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.75 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.336 14.9 p90 -72.47 -31.12 65.16 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.419 -1.312 . . . . 0.0 112.018 176.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.4 mm -59.74 -43.63 91.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.687 171.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.12 -40.34 95.58 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.963 0.411 . . . . 0.0 109.995 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.71 -47.81 89.36 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.252 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -70.59 -33.18 70.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 122.741 -0.27 . . . . 0.0 110.834 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.4 mtp180 -66.53 -46.98 74.33 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.855 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.01 70.35 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.44 -50.03 55.62 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.5 m-85 -65.19 -38.43 90.46 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.249 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.37 -33.68 76.42 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -64.5 -42.58 95.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.61 -30.2 71.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.221 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.37 -16.79 64.35 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.834 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.54 -6.62 13.94 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.19 -29.0 70.43 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.684 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.1 m 80.11 -22.01 0.3 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.419 1.088 . . . . 0.0 110.141 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.16 71.42 10.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.677 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.5 pt? -160.75 152.63 19.85 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -116.33 172.62 7.08 Favored 'General case' 0 C--N 1.251 -3.693 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.06 -29.84 61.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.708 0.685 . . . . 0.0 109.845 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -50.14 74.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.482 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.466 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 41.0 mt-10 -72.34 -40.1 67.66 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.83 -176.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.16 -40.12 73.4 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.62 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.96 -32.79 74.45 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.78 0.675 . . . . 0.0 111.589 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.25 -37.7 63.68 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 123.597 0.759 . . . . 0.0 109.178 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.702 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.8 m-85 -70.56 -49.31 49.38 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.319 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.11 -31.73 72.76 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.71 72.97 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 117.695 -1.602 . . . . 0.0 110.467 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.53 72.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 88.9 mt -59.13 -40.25 84.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.757 0.313 . . . . 0.0 110.162 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.517 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.34 -33.35 65.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.02 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.6 m -71.8 -40.66 69.02 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.43 89.93 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.241 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 20.2 t70 -63.47 -49.07 75.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 120.752 0.311 . . . . 0.0 110.624 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 82.1 mt -60.21 -46.96 87.97 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 pp -71.16 -27.56 63.63 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.907 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.53 -38.76 84.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 1.2 mptm? -69.34 -31.12 69.35 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.728 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' HD13 ' A' ' 31' ' ' LEU . 13.9 t70 -69.36 -40.43 77.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.1 mt -55.99 -48.57 75.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.242 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.15 -39.67 87.18 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.088 0.955 . . . . 0.0 111.154 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.4 -41.46 72.96 Favored 'General case' 0 C--O 1.255 1.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.358 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.45 -33.28 71.1 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 23.6 tt0 -57.9 -46.59 84.69 Favored 'General case' 0 C--O 1.196 -1.712 0 C-N-CA 123.39 0.676 . . . . 0.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 4.0 mptp? -68.17 -33.23 74.06 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.084 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -63.08 -50.58 70.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.459 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 98.6 t -66.74 -44.12 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.658 -176.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 4.0 pt20 -65.38 -31.75 73.02 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.105 0.479 . . . . 0.0 111.637 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -77.74 -27.8 50.54 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.661 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -63.52 -46.95 83.68 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.721 -173.596 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.5 t30 . . . . . 0 C--O 1.218 -0.587 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.6 p -62.22 -38.69 90.15 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 123.62 0.768 . . . . 0.0 112.499 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.74 88.55 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.723 0.773 . . . . 0.0 110.845 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -28.61 65.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.978 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.84 -40.55 96.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 19' ' ' THR . 39.8 mmt180 -62.21 -40.8 97.31 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -103.91 18.42 22.03 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.09 -26.02 68.04 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.707 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 10.2 pt-20 -62.07 -41.11 97.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 110.628 175.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 12.7 mm -77.42 -35.8 22.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.505 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.06 -36.6 83.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.618 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 15.4 m-85 -65.47 -45.61 83.03 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.71 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 85.8 mt -58.19 -45.93 86.7 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.278 0.362 . . . . 0.0 111.005 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.23 -35.8 80.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.367 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.436 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 30.9 t60 -67.84 -45.14 75.47 Favored 'General case' 0 C--O 1.208 -1.084 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.52 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.476 ' O ' HG21 ' A' ' 38' ' ' VAL . 71.7 mt -63.25 -36.58 76.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 122.931 0.492 . . . . 0.0 111.416 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -64.67 -39.62 94.0 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.45 -31.48 71.69 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.513 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.0 mm-40 -65.17 -31.52 72.75 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.806 0.442 . . . . 0.0 110.524 173.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.5 t -65.95 -37.67 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -68.36 -35.2 77.38 Favored 'General case' 0 C--O 1.257 1.493 0 CA-C-O 121.704 0.764 . . . . 0.0 110.225 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.83 -42.38 98.96 Favored 'General case' 0 C--O 1.188 -2.16 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 3.9 pp -68.59 -33.57 74.28 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 121.158 0.504 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.3 -24.69 67.74 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.065 0.46 . . . . 0.0 110.718 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.24 16.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.209 -0.932 . . . . 0.0 112.744 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -109.94 -41.01 4.6 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.213 1.005 . . . . 0.0 111.248 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.62 -78.82 0.33 Allowed Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 -175.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 12.6 m120 50.51 49.03 21.55 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.571 1.148 . . . . 0.0 111.88 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.1 -35.57 79.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.37 -25.51 11.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.522 0.677 . . . . 0.0 110.005 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.615 ' OE2' ' HD2' ' A' ' 52' ' ' ARG . 5.5 tp10 -67.8 -35.51 78.78 Favored 'General case' 0 C--O 1.2 -1.517 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.222 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.0 ttpp -55.52 -49.52 72.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.006 0.431 . . . . 0.0 111.197 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.02 79.87 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.022 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.615 ' HD2' ' OE2' ' A' ' 49' ' ' GLU . 44.4 ttm105 -67.15 -40.03 86.63 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.308 0.575 . . . . 0.0 109.472 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.55 -36.79 76.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.311 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.6 mt -64.62 -33.43 75.92 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' THR . 29.0 mmm180 -69.69 -27.87 65.37 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.496 0.665 . . . . 0.0 109.626 176.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' O ' HG13 ' A' ' 59' ' ' VAL . 38.3 tt0 -70.15 -33.36 71.69 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.398 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.279 3.8 pp -70.81 -30.06 66.4 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 118.662 -1.215 . . . . 0.0 109.709 174.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.6 m -61.53 -35.27 77.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.703 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -71.79 -39.54 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 118.297 -1.361 . . . . 0.0 110.256 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.765 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 p -62.14 -29.22 70.19 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.89 1.328 . . . . 0.0 110.798 175.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 58' ' ' THR . 21.1 tt0 -66.03 -39.39 90.15 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 112.569 -2.105 . . . . 0.0 108.193 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.01 85.19 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.936 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.765 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.8 m-85 -61.95 -41.71 98.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.31 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.61 -49.52 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.483 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.73 -40.98 92.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.994 -174.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.73 96.66 Favored Glycine 0 C--O 1.243 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 50.8 m -69.59 -31.48 69.66 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 115.131 -0.535 . . . . 0.0 110.258 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -67.55 -38.13 83.7 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.465 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.515 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.37 -28.49 73.75 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 174.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 67' ' ' SER . 63.3 t80 -64.65 -46.2 83.51 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -64.67 -39.18 93.22 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.435 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -55.29 -41.07 71.81 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.265 0.353 . . . . 0.0 110.467 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.4 mpt_? -68.32 -37.01 80.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.88 -30.63 71.7 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.261 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.53 -16.47 63.44 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.169 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.77 -6.66 23.38 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.361 0.601 . . . . 0.0 109.715 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' NE ' ' HB2' ' A' ' 79' ' ' ASP . 76.8 ttt180 -65.1 -32.56 74.32 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.094 0.957 . . . . 0.0 111.785 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.4 m 79.03 -26.17 0.18 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.088 0.955 . . . . 0.0 110.655 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' HB2' ' NE ' ' A' ' 77' ' ' ARG . 12.9 m-20 -82.58 59.02 4.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.177 0.513 . . . . 0.0 110.121 175.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -156.77 150.74 24.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 82' ' ' LEU . 22.1 t70 -128.22 -167.94 1.83 Allowed 'General case' 0 C--N 1.264 -3.127 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 173.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' H ' ' CG ' ' A' ' 81' ' ' ASP . 83.2 mt -58.77 -31.27 68.21 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-N 118.783 0.72 . . . . 0.0 111.404 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.75 -49.76 67.26 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 121.586 0.708 . . . . 0.0 112.223 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.79 -39.36 69.95 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.305 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 4.2 tmmm? -63.74 -36.67 84.63 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.565 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -65.28 -33.7 76.6 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.19 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -75.38 -34.04 61.07 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 85' ' ' LYS . 8.9 m-85 -71.7 -39.01 70.48 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -65.45 -33.47 76.01 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.59 65.99 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.214 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.34 -42.46 88.1 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.47 -40.69 87.75 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 122.6 0.36 . . . . 0.0 110.999 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.43 -28.19 63.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.197 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -70.18 -49.65 48.21 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.44 -42.88 88.71 Favored Glycine 0 N--CA 1.422 -2.234 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.155 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.26 -41.12 94.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.917 0.358 . . . . 0.0 111.906 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.44 -43.93 76.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.805 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.48 -26.91 63.83 Favored 'General case' 0 C--O 1.194 -1.841 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.053 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.93 -41.3 97.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -70.38 -31.69 69.04 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 114.164 -1.38 . . . . 0.0 109.935 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.26 -33.52 63.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.447 0.641 . . . . 0.0 110.087 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.4 -49.54 77.16 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.456 1.502 . . . . 0.0 109.505 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 59.5 mtpt -69.39 -28.25 66.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.35 69.49 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.075 0.464 . . . . 0.0 110.521 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.25 -34.31 72.68 Favored 'General case' 0 C--O 1.191 -1.981 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -58.99 -44.59 91.64 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.179 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.7 mmtt -66.93 -34.31 77.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -67.5 -46.06 74.0 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' LEU . 49.1 t -71.62 -38.64 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.074 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -59.17 -44.59 92.15 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.964 0.888 . . . . 0.0 109.573 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.72 -43.87 65.14 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 114.011 -1.45 . . . . 0.0 109.276 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 t 75.3 -26.25 0.19 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.765 1.626 . . . . 0.0 114.578 169.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 119.365 -0.35 . . . . 0.0 110.98 -178.847 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 t30 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -63.03 -49.75 73.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.48 90.47 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.502 0.668 . . . . 0.0 111.393 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -51.46 67.25 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.099 -176.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.81 -34.65 77.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.198 0.523 . . . . 0.0 110.956 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -61.84 -30.79 71.08 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.381 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -104.24 -6.32 21.05 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.79 -1.164 . . . . 0.0 112.637 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.555 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 30.4 t-80 -61.84 -38.33 87.82 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.44 -29.97 70.9 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.896 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.52 -34.46 14.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 44.9 tt0 -60.7 -46.66 89.52 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.698 0.761 . . . . 0.0 109.656 175.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 8.4 ptmm? -67.03 -35.46 79.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.134 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' O ' HG13 ' A' ' 34' ' ' ILE . 39.8 t80 -58.85 -42.45 89.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 6.5 tt -58.09 -47.19 83.96 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 124.452 1.101 . . . . 0.0 109.918 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.2 pp -66.77 -34.78 78.59 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.428 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -60.26 -36.16 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.14 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 38' ' ' VAL . 72.1 mt -65.14 -45.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -60.54 -45.28 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-O 121.042 0.449 . . . . 0.0 110.066 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -63.96 -31.83 73.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.149 0.5 . . . . 0.0 111.394 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.42 -32.19 69.69 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.725 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 34' ' ' ILE . 94.8 t -63.12 -42.54 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.07 -34.54 78.31 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.455 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.33 -47.69 59.9 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.116 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -66.95 -33.86 76.5 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.083 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.79 -42.97 94.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.643 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -12.34 52.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.166 0.984 . . . . 0.0 110.932 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.7 m -91.55 -47.3 7.49 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.099 -1.41 . . . . 0.0 113.575 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.61 -28.63 0.18 Allowed Glycine 0 C--O 1.218 -0.876 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.716 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 58.56 26.91 14.95 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 125.744 1.617 . . . . 0.0 111.941 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -56.18 -50.69 70.5 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.903 -172.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.56 -15.45 0.17 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.913 0.863 . . . . 0.0 110.616 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -35.77 76.19 Favored 'General case' 0 C--O 1.186 -2.274 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.346 -173.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 21.6 tttm -62.7 -49.16 76.19 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.99 87.05 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.642 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -63.11 -44.34 95.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.194 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.43 -34.96 79.12 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.298 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 69.7 mt -65.39 -34.55 78.56 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.424 0.63 . . . . 0.0 109.541 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.6 mmt180 -70.36 -26.4 63.71 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.393 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.13 -32.57 67.06 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.166 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.2 pp -72.45 -30.94 65.03 Favored 'General case' 0 C--O 1.206 -1.226 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.627 174.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.7 m -66.78 -35.49 80.2 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.607 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 55' ' ' ARG . 87.1 t -60.5 -38.83 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.5 m -64.65 -42.97 95.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.537 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 42.6 mt-10 -59.13 -38.03 78.65 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.12 174.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.82 82.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.742 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.825 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.323 6.9 p90 -73.01 -31.07 64.24 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 118.147 -1.421 . . . . 0.0 111.986 177.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 18.7 mm -58.48 -50.24 79.49 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.188 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.11 -44.86 94.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.911 0.484 . . . . 0.0 111.7 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.43 95.72 Favored Glycine 0 C--O 1.24 0.471 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.649 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 m -70.77 -31.62 68.47 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.554 0.693 . . . . 0.0 109.184 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 58.8 ttt180 -66.59 -46.37 76.18 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.453 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.649 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -68.72 -23.38 75.59 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.28 -46.63 60.42 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 26.9 m-85 -65.47 -39.95 92.56 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.78 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 6.5 tp-100 -54.34 -43.28 71.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.879 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.2 mpt_? -65.32 -37.8 88.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 32.9 mt-10 -64.4 -36.19 83.36 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 176.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.66 -20.74 66.41 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.167 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 74.6 mmtt -82.52 -17.2 45.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 10.5 mmm180 -65.92 -55.19 18.17 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m 73.11 -4.2 2.24 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.576 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.71 -22.4 66.97 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.059 0.933 . . . . 0.0 109.996 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' CD1' ' H ' ' A' ' 80' ' ' LEU . 4.8 mp -43.39 171.12 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 128.838 2.855 . . . . 0.0 113.908 172.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.48 170.44 14.21 Favored 'General case' 1 C--N 1.236 -4.35 0 CA-C-N 110.11 -3.223 . . . . 0.0 104.489 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.62 -31.02 61.92 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.553 1.141 . . . . 0.0 110.679 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.29 -49.09 62.89 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.15 77.78 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.441 -177.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.447 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 71.4 t80 -64.3 -35.27 80.32 Favored 'General case' 0 C--O 1.2 -1.53 0 CA-C-O 120.867 0.365 . . . . 0.0 111.671 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -75.0 -32.62 61.7 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 123.512 0.725 . . . . 0.0 110.731 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.0 m-85 -73.76 -46.2 47.14 Favored 'General case' 0 CA--C 1.46 -2.49 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.4 pt-20 -67.51 -30.95 70.76 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.06 90.69 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.314 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.19 71.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.421 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -63.14 -35.59 80.8 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.82 -39.2 73.18 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.171 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.1 m -71.79 -41.64 68.08 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-O 121.66 0.743 . . . . 0.0 109.111 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 -41.14 96.16 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.189 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.623 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 25.6 t70 -64.21 -42.61 96.54 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 88.4 mt -64.39 -47.4 79.37 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.352 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -71.51 -27.94 63.56 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.34 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.99 -45.46 77.52 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 11.1 ptmm? -66.65 -32.8 74.35 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.52 177.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.38 -30.89 60.31 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 119.335 -0.946 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.3 mt -60.11 -50.54 73.3 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.16 0.584 . . . . 0.0 109.859 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 16.5 ptmt -71.64 -27.41 63.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.403 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.16 71.04 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 121.224 0.535 . . . . 0.0 110.148 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.04 -34.33 73.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' NE2' HD12 ' A' ' 57' ' ' LEU . 35.5 tt0 -60.08 -37.69 80.69 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.1 mmtt -65.18 -35.06 79.89 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.4 -46.82 68.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 121.358 0.599 . . . . 0.0 110.046 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.8 t -65.02 -39.29 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.21 -43.25 99.26 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.992 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.09 -35.63 81.36 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.216 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 t -56.89 -31.49 64.92 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.539 0.735 . . . . 0.0 111.566 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 C--O 1.244 0.805 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.785 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -63.82 -41.18 97.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.972 0.415 . . . . 0.0 111.741 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.96 -46.47 68.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 p -65.1 -36.8 85.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -68.72 -34.75 76.16 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -63.93 -32.41 73.93 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.731 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 21.4 m-85 -113.23 36.28 3.61 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.66 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -77.57 -38.34 48.6 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.777 0.798 . . . . 0.0 109.679 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.88 -34.54 73.69 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.906 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.87 -40.79 86.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -60.28 -43.14 96.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.751 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.42 -44.57 96.1 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.63 -48.3 82.4 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 123.052 0.22 . . . . 0.0 111.453 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.7 -45.22 89.99 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 123.052 0.22 . . . . 0.0 110.467 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.85 -35.66 74.9 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.294 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 43.9 t-80 -60.5 -50.75 72.31 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.574 ' O ' HG21 ' A' ' 38' ' ' VAL . 96.5 mt -63.79 -45.39 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.741 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.418 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 20.9 m -63.32 -42.41 99.0 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-O 121.522 0.677 . . . . 0.0 110.065 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 13.7 t60 -70.62 -31.56 68.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.483 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 42.4 mm-40 -65.92 -31.58 72.6 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.564 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 34' ' ' ILE . 63.4 t -60.34 -40.61 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 53.1 m-20 -61.47 -41.77 97.75 Favored 'General case' 0 C--O 1.259 1.577 0 CA-C-O 122.176 0.988 . . . . 0.0 109.762 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.32 -47.64 67.01 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.237 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.2 pp -68.95 -33.83 74.36 Favored 'General case' 0 N--CA 1.424 -1.764 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.098 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.56 -33.87 76.93 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -11.82 49.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.154 0.978 . . . . 0.0 110.562 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.49 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 6.3 m -93.06 -47.27 7.06 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.523 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -27.07 2.86 Favored Glycine 0 C--N 1.308 -0.978 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.37 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 56.4 37.38 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.018 1.727 . . . . 0.0 113.302 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -56.08 -24.27 39.0 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -156.4 -21.13 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.614 0.721 . . . . 0.0 110.581 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -61.4 -37.43 83.42 Favored 'General case' 0 C--O 1.193 -1.883 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.027 -173.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.9 ttpp -68.36 -50.67 51.5 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.369 -0.932 . . . . 0.0 112.764 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.17 81.0 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.762 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 75.7 ttt180 -67.29 -40.11 86.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 34' ' ' ILE . 41.4 tp -65.02 -35.63 81.81 Favored 'General case' 0 N--CA 1.424 -1.727 0 C-N-CA 123.131 0.572 . . . . 0.0 110.975 175.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 89.9 mt -63.13 -32.64 74.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.819 0.818 . . . . 0.0 109.843 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' HG22 ' A' ' 59' ' ' VAL . 43.7 ttm180 -68.41 -35.06 77.1 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.669 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.6 -40.07 95.75 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.5 pp -71.0 -31.78 68.4 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.668 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.7 m -62.43 -42.41 99.43 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.997 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 55' ' ' ARG . 57.6 t -66.57 -41.72 88.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.815 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.4 m -60.48 -40.26 90.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.029 0.919 . . . . 0.0 110.979 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HG3' ' HE3' ' A' ' 103' ' ' LYS . 2.0 tm-20 -66.1 -32.1 73.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.53 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.43 70.64 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.497 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.815 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.367 6.3 p90 -76.52 -30.7 57.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 118.63 -1.228 . . . . 0.0 112.807 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -66.63 -34.76 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.74 -38.67 89.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.306 0.574 . . . . 0.0 109.459 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.31 90.2 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.95 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -70.44 -32.0 69.4 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.492 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -67.03 -43.27 83.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.077 0.465 . . . . 0.0 109.904 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.64 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.95 -23.98 69.79 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.29 -48.21 57.69 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -65.45 -39.36 91.94 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.209 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.0 -42.0 79.48 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.853 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.64 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 10.6 mpt_? -65.8 -39.01 90.5 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.673 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.99 -33.56 74.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.817 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.39 -19.67 65.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.925 0.393 . . . . 0.0 111.329 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -108.14 -5.84 16.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.28 0.562 . . . . 0.0 110.495 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' C ' ' H ' ' A' ' 79' ' ' ASP . 58.4 ttt180 -67.93 -24.41 65.19 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.389 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.5 m 77.46 -31.23 0.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.36 1.064 . . . . 0.0 110.349 -172.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 77' ' ' ARG . 1.1 m-20 -77.59 68.06 3.61 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.402 0.62 . . . . 0.0 111.11 173.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.6 pt? -160.58 146.53 15.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.954 175.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -108.19 171.59 7.32 Favored 'General case' 0 C--N 1.251 -3.678 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 83' ' ' LEU . 4.3 pp -53.89 -30.23 45.1 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 118.398 0.545 . . . . 0.0 110.559 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 82' ' ' LEU 0.266 13.9 tp -61.28 -49.3 77.6 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.991 0.901 . . . . 0.0 111.705 177.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 40.0 mt-10 -71.24 -40.46 71.03 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.439 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 88.1 tttt -58.02 -37.89 75.16 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.64 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.51 -39.76 92.18 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.555 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.51 -35.04 63.18 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.633 0.773 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 7.9 m-85 -69.47 -44.96 70.12 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 41.8 mt-10 -68.04 -32.18 72.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.47 79.8 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.479 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -68.85 -43.87 74.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.024 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 93.1 mt -56.52 -41.64 77.07 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.127 0.171 . . . . 0.0 110.699 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' HD21 ' A' ' 97' ' ' LEU . . . -71.22 -33.3 69.76 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.1 m -69.06 -48.68 62.16 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -64.89 -45.41 92.57 Favored Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.4 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.04 -44.77 94.42 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 93' ' ' ALA . 1.5 pp -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.039 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 4.5 pp -71.2 -26.77 63.09 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.558 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -68.81 -41.78 78.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -68.49 -32.85 73.13 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.291 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.4 -37.28 74.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.411 0.624 . . . . 0.0 110.168 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.65 -48.63 80.91 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 125.77 1.628 . . . . 0.0 109.237 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.439 ' HE3' ' HG3' ' A' ' 61' ' ' GLU . 30.3 mmtp -69.2 -33.37 73.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.4 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.99 -39.08 83.32 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.436 0.636 . . . . 0.0 109.518 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -70.3 -33.23 71.29 Favored 'General case' 0 C--O 1.181 -2.532 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' NE2' HD13 ' A' ' 57' ' ' LEU . 28.3 tt0 -58.22 -47.69 82.7 Favored 'General case' 0 C--O 1.195 -1.813 0 CA-C-O 119.093 -0.479 . . . . 0.0 111.481 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.04 -32.46 73.95 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.383 0.611 . . . . 0.0 110.772 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 63.2 ttt180 -66.55 -50.02 64.54 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.487 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 112' ' ' SER . 66.2 t -70.74 -37.51 69.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 121.627 0.727 . . . . 0.0 111.727 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -55.88 -38.54 70.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.923 0.889 . . . . 0.0 109.312 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.54 -48.76 10.63 Favored 'General case' 0 N--CA 1.432 -1.346 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.103 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 109' ' ' VAL . 12.6 t 72.1 -30.44 0.21 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.404 1.882 . . . . 0.0 114.473 172.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.253 1.241 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.505 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -70.12 -40.56 74.81 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.907 -0.496 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.68 74.87 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 120.785 0.326 . . . . 0.0 110.371 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -66.74 -43.28 84.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -36.35 83.62 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.563 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.66 -31.0 71.4 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.802 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -85.95 -8.62 57.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 0.0 111.318 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.98 -22.3 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 20.1 mm-40 -68.24 -31.7 71.37 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.881 0.848 . . . . 0.0 109.143 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 mm -80.52 -34.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.48 -44.77 92.95 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.468 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 62.8 pttt -66.34 -36.96 84.24 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.082 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' O ' HG13 ' A' ' 34' ' ' ILE . 5.8 m-85 -59.38 -43.46 92.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.398 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.91 -47.19 83.54 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 122.942 0.497 . . . . 0.0 110.596 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.78 -35.82 75.21 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.343 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.3 t60 -60.36 -47.02 87.85 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.478 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.578 ' O ' HG21 ' A' ' 38' ' ' VAL . 96.1 mt -62.34 -46.21 96.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 123.178 0.299 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 m -60.7 -37.53 81.97 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 121.347 0.594 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -67.45 -38.47 84.54 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 18.6 mm-40 -63.91 -32.94 74.65 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 34' ' ' ILE . 42.0 t -64.67 -46.39 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.09 -39.0 92.56 Favored 'General case' 0 C--O 1.27 2.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 11.2 t70 -63.96 -47.29 80.99 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.212 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.4 pp -67.54 -34.69 77.59 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 5.2 mm-40 -61.55 -27.56 68.71 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -102.24 -28.58 12.2 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 116.452 -2.099 . . . . 0.0 110.673 174.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -69.73 -35.7 75.22 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.999 0.92 . . . . 0.0 113.039 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.6 -56.57 0.18 Allowed Glycine 0 C--N 1.313 -0.709 0 C-N-CA 119.062 -1.542 . . . . 0.0 114.366 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 64.6 t30 74.9 29.08 1.04 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.894 1.278 . . . . 0.0 108.319 -176.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.85 -50.61 61.98 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.667 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -152.1 13.42 0.59 Allowed 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 123.257 1.503 . . . . 0.0 107.215 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -72.13 -35.64 69.16 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 111.767 -2.469 . . . . 0.0 110.725 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 5.6 tptm -63.59 -49.08 74.76 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.81 86.28 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.73 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -59.78 -45.63 91.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.873 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.8 tp -70.07 -32.98 71.34 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-O 121.321 0.582 . . . . 0.0 111.648 -177.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 51.4 mt -67.53 -32.41 73.18 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.962 0.886 . . . . 0.0 110.155 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -67.76 -36.64 80.88 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.1 tp10 -62.54 -40.67 97.55 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.623 176.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 34' ' ' ILE . 2.4 pp -70.38 -30.1 66.92 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.515 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 m -62.06 -36.0 80.31 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -38.42 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.838 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -59.88 -42.51 93.92 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.603 0.716 . . . . 0.0 110.36 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 6.9 tp10 -59.17 -40.07 84.47 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.028 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.13 99.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.186 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.378 7.1 p90 -75.16 -31.63 61.07 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.415 -1.314 . . . . 0.0 113.154 177.011 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -61.67 -42.34 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.218 171.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 54.8 mt-10 -55.34 -45.92 76.4 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.347 0.404 . . . . 0.0 110.469 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.14 96.48 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.612 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 -39.9 68.42 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -69.6 -44.05 71.52 Favored 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.65 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -61.33 -28.59 69.59 Favored Glycine 0 N--CA 1.413 -2.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.373 177.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.3 t80 -67.86 -51.75 44.7 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.1 m-85 -61.32 -38.81 88.23 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.597 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.32 -34.68 75.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.65 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.3 mtp180 -69.15 -36.85 77.86 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.468 0.651 . . . . 0.0 109.444 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 13.6 mm-40 -65.66 -30.17 70.83 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.855 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.57 -15.35 63.2 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.224 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 21.1 ptmt -109.08 -5.57 15.95 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 79' ' ' ASP . 11.2 mtm180 -62.16 -18.81 62.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m 73.33 -33.18 0.26 Allowed 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 124.446 1.098 . . . . 0.0 111.217 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 77' ' ' ARG . 18.7 t70 -55.15 -34.3 63.68 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 126.741 2.016 . . . . 0.0 112.914 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.615 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -72.02 156.98 38.63 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.753 1.264 . . . . 0.0 110.193 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.403 ' OD1' ' HG ' ' A' ' 82' ' ' LEU . 13.8 t70 -126.18 -173.7 2.92 Favored 'General case' 1 C--N 1.239 -4.201 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 174.4 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' HG ' ' OD1' ' A' ' 81' ' ' ASP . 3.3 pp -57.93 -29.16 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.98 -50.73 72.2 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 123.519 0.512 . . . . 0.0 111.604 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.615 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 45.9 mt-10 -72.46 -41.33 66.2 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.74 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.38 -36.54 73.68 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.924 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.414 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 87.1 t80 -64.71 -33.08 75.12 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 121.927 0.87 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -74.44 -38.02 63.12 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 124.989 1.316 . . . . 0.0 108.997 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.3 m-85 -72.65 -44.78 61.42 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.318 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 13.3 pt-20 -65.91 -32.3 73.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.46 80.41 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.58 74.17 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.492 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.9 mt -59.63 -40.58 88.09 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 122.386 0.274 . . . . 0.0 110.391 178.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.489 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.71 -31.71 68.67 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.37 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -68.98 -45.46 70.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.79 -39.64 89.87 Favored Glycine 0 N--CA 1.423 -2.232 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.662 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.12 -38.45 78.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 117.277 0.539 . . . . 0.0 110.925 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.2 mt -69.32 -43.38 73.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.955 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.97 -31.17 67.64 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.339 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.1 tt -65.11 -39.83 93.67 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HZ3' ' HB2' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -72.15 -32.02 66.49 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.14 179.182 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.5 -31.2 62.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 118.018 -1.473 . . . . 0.0 108.766 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 99' ' ' LEU . 3.1 tm? -59.86 -50.02 75.44 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.024 1.73 . . . . 0.0 108.869 177.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 34.2 mmtp -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.53 70.83 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -70.57 -35.38 73.03 Favored 'General case' 0 C--O 1.187 -2.234 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 29.7 tt0 -65.62 -37.06 85.51 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 123.327 0.392 . . . . 0.0 110.141 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.0 mmtt -66.62 -35.33 79.93 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 105' ' ' LEU . 77.0 mtm180 -67.91 -39.75 83.53 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.66 -40.57 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.053 0.454 . . . . 0.0 110.948 176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 28.0 mm-40 -63.08 -40.6 98.14 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.24 -16.28 60.96 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.991 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.2 m -72.77 -25.38 61.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.331 0.586 . . . . 0.0 109.548 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.255 1.378 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.387 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -68.89 -24.22 64.29 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.429 0.633 . . . . 0.0 110.152 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 23' ' ' ARG . . . -66.23 -44.04 84.91 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.228 0.537 . . . . 0.0 110.437 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 p -71.77 -34.9 69.84 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.05 -38.14 78.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.094 0.958 . . . . 0.0 109.697 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 1.3 tpm_? -62.69 -48.25 80.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.471 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -97.75 12.3 34.27 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.143 -1.023 . . . . 0.0 112.451 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 37.1 t-80 -68.75 -33.29 73.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.075 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 36.4 mt-10 -62.69 -42.33 99.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.783 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -69.55 -34.07 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.596 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 25' ' ' HIS . 18.8 tt0 -58.65 -45.63 88.9 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.436 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HD3' ' CE1' ' A' ' 25' ' ' HIS . 19.4 mmmt -66.08 -38.81 89.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.288 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 17.3 m-85 -58.45 -48.31 81.16 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 175.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.71 -42.65 99.23 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -70.05 -38.45 75.81 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.961 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' N ' HD11 ' A' ' 32' ' ' LEU . 8.7 t-160 -63.67 -41.68 98.15 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.014 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 38' ' ' VAL . 62.2 mt -65.12 -43.33 95.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 C-N-CA 123.03 0.532 . . . . 0.0 111.246 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -62.17 -41.7 98.57 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 121.504 0.669 . . . . 0.0 109.423 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -66.48 -37.95 86.22 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.571 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.4 tp10 -60.51 -45.02 95.35 Favored 'General case' 0 C--O 1.188 -2.135 0 C-N-CA 124.321 1.048 . . . . 0.0 108.975 178.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 34' ' ' ILE . 87.7 t -58.64 -40.83 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 C-N-CA 124.172 0.989 . . . . 0.0 109.521 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 13.6 t70 -68.2 -38.27 81.79 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.034 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.44 -30.05 61.73 Favored 'General case' 0 C--O 1.192 -1.954 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.634 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 50.3 mt -68.32 -40.8 81.51 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 34.9 tt0 -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.344 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -87.74 -15.8 36.01 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.621 1.569 . . . . 0.0 110.717 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -113.0 -50.47 2.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.03 -65.44 0.05 OUTLIER Glycine 0 C--N 1.294 -1.801 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t30 72.32 18.47 4.62 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 122.651 1.215 . . . . 0.0 108.874 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HB2' ' NZ ' ' A' ' 47' ' ' LYS . 7.3 mtmp? -67.71 -49.8 60.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.446 -175.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.83 -23.47 0.94 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.423 -171.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.94 -36.11 78.48 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HD3' ' CG1' ' A' ' 109' ' ' VAL . 0.0 OUTLIER -62.2 -47.44 84.46 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -177.57 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.39 96.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.143 0.497 . . . . 0.0 110.748 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -68.24 -38.61 81.99 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.801 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 tp -64.02 -37.29 86.91 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.018 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -65.39 -33.41 75.9 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.504 0.669 . . . . 0.0 111.068 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 59' ' ' VAL . 19.2 mtp180 -66.23 -36.23 82.47 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -64.73 -35.65 81.75 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.136 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' HA ' ' OG ' ' A' ' 60' ' ' SER 0.321 2.8 pp -74.13 -30.81 62.48 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 119.12 -1.032 . . . . 0.0 111.199 174.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 11.3 m -62.53 -34.97 77.97 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-O 121.966 0.888 . . . . 0.0 109.314 175.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 55' ' ' ARG . 60.0 t -71.16 -45.86 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.241 176.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.771 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 2.6 p -62.7 -29.68 70.84 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 122.697 1.237 . . . . 0.0 111.364 176.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 58' ' ' THR . 35.0 tt0 -65.15 -40.72 94.78 Favored 'General case' 0 C--N 1.28 -2.425 0 CA-C-N 112.702 -2.044 . . . . 0.0 108.184 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.13 71.08 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.956 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.771 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.4 m-85 -67.07 -42.94 83.85 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.63 -50.84 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 123.172 0.295 . . . . 0.0 110.542 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.63 -41.81 83.3 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.96 87.89 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.33 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.6 t -70.21 -32.3 70.13 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' NH1' ' HB2' ' A' ' 96' ' ' ASP . 14.7 mtp180 -69.04 -34.04 74.56 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.772 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -66.41 -27.0 72.81 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 173.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 67' ' ' SER . 48.4 t80 -69.99 -46.38 65.28 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -62.89 -38.38 90.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.399 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 96.6 mt-30 -59.54 -38.76 81.9 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.0 mmm180 -69.47 -33.25 72.63 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.15 0.5 . . . . 0.0 110.073 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.72 -31.96 72.25 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.402 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.6 mt -71.12 -15.94 62.53 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 31.1 mmmt -93.31 -6.55 47.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 0.0 110.56 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 79' ' ' ASP . 47.9 mtp180 -56.28 -40.28 74.01 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m 74.11 -38.24 0.39 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.386 1.074 . . . . 0.0 109.259 -171.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 77' ' ' ARG . 29.9 t70 -86.72 77.1 9.39 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.824 0.821 . . . . 0.0 109.675 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -151.15 157.91 43.31 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -130.11 -178.29 4.67 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.17 -31.04 61.05 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 118.566 0.621 . . . . 0.0 110.989 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.64 -48.47 79.37 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 123.938 0.895 . . . . 0.0 112.154 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 12.8 mm-40 -70.4 -45.07 66.67 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.992 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -56.13 -38.24 70.55 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.068 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.44 -36.73 85.11 Favored 'General case' 0 C--O 1.187 -2.202 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -73.7 -35.42 65.13 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 122.798 0.439 . . . . 0.0 110.427 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.673 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.0 m-85 -75.52 -46.29 33.07 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.86 -31.67 72.44 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.44 -40.88 73.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.567 -1.253 . . . . 0.0 110.371 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.56 69.64 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.478 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 78.8 mt -58.88 -43.18 90.86 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -68.17 -36.9 80.35 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.436 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.8 m -68.92 -46.43 68.31 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.07 -43.95 96.52 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.904 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.49 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 37.8 t70 -66.52 -37.55 85.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.129 0.464 . . . . 0.0 111.867 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 70.5 mt -64.76 -49.47 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.7 -27.32 63.9 Favored 'General case' 0 C--O 1.191 -1.981 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.244 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.95 -41.98 77.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' LEU . 18.1 ptmt -71.27 -31.85 67.98 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.42 -33.09 69.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.308 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.72 -50.31 74.0 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.331 1.452 . . . . 0.0 109.649 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -61.63 -39.54 91.69 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.42 78.54 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -36.89 74.05 Favored 'General case' 0 C--O 1.172 -3.007 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.43 -44.63 95.57 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.232 0.613 . . . . 0.0 111.637 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.72 -33.65 76.1 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.366 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -69.1 -46.55 67.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.945 0.879 . . . . 0.0 109.444 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.51 ' CG1' ' HD3' ' A' ' 50' ' ' LYS . 42.2 t -65.02 -39.85 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.729 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -64.85 -36.67 85.08 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.68 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.02 -30.78 70.96 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.058 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.8 m -59.28 -26.37 64.88 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.367 178.025 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -61.9 -49.34 76.6 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.046 0.451 . . . . 0.0 111.746 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.19 67.92 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.771 0.796 . . . . 0.0 111.611 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -72.41 -28.5 63.01 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.284 -175.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.88 -37.91 87.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.73 -29.07 64.13 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.075 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.95 21.49 13.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.857 0.837 . . . . 0.0 110.123 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -85.35 -18.77 32.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.296 0.57 . . . . 0.0 109.712 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.203 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.8 tp -72.13 -33.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.538 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -47.74 84.31 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.653 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.28 -35.86 81.47 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.331 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.8 t80 -65.11 -46.2 82.02 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 32' ' ' LEU . 3.8 pp -67.78 -35.85 79.42 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 31' ' ' LEU . 4.4 pp -70.26 -35.35 73.71 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.38 -0.928 . . . . 0.0 110.393 176.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 51.1 t-80 -62.17 -39.55 93.01 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.366 175.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 30' ' ' PHE . 55.9 mt -61.58 -40.72 87.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 C-N-CA 123.014 0.525 . . . . 0.0 110.374 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -63.25 -41.5 99.06 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.377 0.608 . . . . 0.0 109.535 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -69.69 -33.54 72.67 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.908 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 32.9 mm-40 -63.45 -32.35 73.76 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.0 t -64.0 -50.55 76.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -60.7 -42.86 98.04 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.095 0.95 . . . . 0.0 110.143 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.607 ' O ' ' HB ' ' A' ' 44' ' ' THR . 39.1 t70 -63.42 -47.44 81.96 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.573 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -66.94 -33.96 76.73 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 123.021 0.2 . . . . 0.0 110.764 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.14 -39.26 81.85 Favored 'General case' 0 N--CA 1.431 -1.377 0 O-C-N 123.702 0.626 . . . . 0.0 112.507 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -93.98 -23.61 17.98 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 115.861 -2.336 . . . . 0.0 111.04 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 2.9 m -84.55 -29.64 25.73 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.94 -56.74 0.18 Allowed Glycine 0 C--N 1.316 -0.558 0 C-N-CA 118.323 -1.894 . . . . 0.0 114.322 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 2.6 p-10 59.45 24.4 13.04 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 125.82 1.648 . . . . 0.0 112.01 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -56.38 -50.11 72.52 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.444 1.097 . . . . 0.0 112.057 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -138.2 -4.02 1.72 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 46' ' ' ASN . 16.8 mt-10 -63.04 -35.22 79.52 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 112.641 -2.072 . . . . 0.0 112.073 -170.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 12.5 tptm -62.25 -50.0 73.47 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -41.6 84.73 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.279 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -59.84 -44.27 94.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.195 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.3 tp -70.47 -34.19 72.11 Favored 'General case' 0 N--CA 1.41 -2.433 0 CA-C-O 121.242 0.544 . . . . 0.0 111.336 -177.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 61.5 mt -68.24 -33.44 74.41 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.079 175.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 59' ' ' VAL . 25.2 tpt180 -69.71 -32.26 70.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.4 tp10 -62.11 -38.88 90.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.125 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.3 pp -72.98 -33.13 65.63 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.755 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.5 m -62.33 -37.01 83.97 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 121.766 0.793 . . . . 0.0 109.896 175.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 55' ' ' ARG . 67.6 t -70.97 -43.45 76.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.074 0.464 . . . . 0.0 109.755 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.796 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 31.0 p -63.54 -29.6 70.84 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.98 1.371 . . . . 0.0 110.984 177.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 58' ' ' THR . 32.4 tt0 -67.24 -38.05 84.54 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.719 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.91 -31.83 72.69 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.282 177.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.796 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.3 m-85 -65.74 -37.53 86.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 175.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.92 -43.42 97.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.731 175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.52 -38.11 86.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.992 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.37 85.47 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.123 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 12.6 p -73.61 -36.62 65.51 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.376 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -69.48 -33.81 73.43 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.501 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.48 73.51 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 67' ' ' SER . 40.8 t80 -67.67 -48.92 65.26 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.1 m-85 -60.65 -39.15 87.28 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.313 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -57.32 -49.13 77.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -71.82 -31.95 67.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 117.577 -1.649 . . . . 0.0 111.875 177.087 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp10 -67.0 -29.29 69.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.292 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.76 -18.61 65.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.336 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -91.99 -6.85 50.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.857 0.463 . . . . 0.0 112.115 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.3 mmt180 -64.38 -30.74 71.77 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m 73.35 -17.95 0.4 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 124.325 1.05 . . . . 0.0 111.549 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -60.17 -41.8 93.6 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.914 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.52 152.0 27.07 Favored 'General case' 0 CA--C 1.483 -1.603 0 CA-C-O 123.098 1.428 . . . . 0.0 109.113 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -109.44 176.2 5.17 Favored 'General case' 1 C--N 1.215 -5.282 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.5 -30.77 63.38 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.309 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.6 mm-40 -73.09 -32.3 64.91 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 121.361 0.6 . . . . 0.0 111.373 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -58.04 -37.03 73.6 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -67.6 -32.42 73.13 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.407 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -73.33 -42.0 62.82 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 125.932 1.693 . . . . 0.0 108.218 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.1 m-85 -73.51 -36.33 65.73 Favored 'General case' 0 CA--C 1.476 -1.903 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.78 -37.92 89.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.55 67.38 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.137 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.41 88.46 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.716 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -60.81 -40.04 91.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.48 -26.9 61.98 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 123.668 0.605 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 m -72.64 -49.63 30.51 Favored 'General case' 0 N--CA 1.421 -1.88 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.92 -41.1 95.59 Favored Glycine 0 C--O 1.204 -1.741 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.425 ' CG ' ' HZ2' ' A' ' 100' ' ' LYS . 17.7 t70 -65.93 -46.21 79.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.726 0.298 . . . . 0.0 111.063 -177.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.19 -39.89 78.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.98 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.6 pp -71.63 -27.58 63.19 Favored 'General case' 0 C--O 1.203 -1.365 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.668 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.35 -40.44 93.62 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' A' ' 96' ' ' ASP . 50.0 mttp -66.35 -33.11 74.99 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.433 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.34 -34.9 65.88 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 95.0 mt -58.48 -50.05 75.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.263 0.625 . . . . 0.0 109.614 175.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -65.96 -30.61 71.2 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.304 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.15 -44.75 64.91 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -69.82 -33.98 73.05 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -42.62 95.54 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.925 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.77 81.07 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -68.89 -45.97 69.59 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 122.848 0.459 . . . . 0.0 109.85 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 105' ' ' LEU . 57.7 t -67.39 -39.65 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.283 0.563 . . . . 0.0 109.911 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.8 -33.25 73.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.182 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.93 -31.78 61.61 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.701 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -64.05 -26.02 68.37 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.651 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.322 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -69.48 -38.18 77.58 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.45 -39.67 94.14 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -62.6 -45.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.038 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' HG13 ' A' ' 64' ' ' ILE . 19.4 m-85 -99.41 10.73 40.85 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.858 -1.137 . . . . 0.0 113.505 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 85.1 t60 -69.23 -18.99 63.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.126 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.69 -45.13 87.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.794 0.807 . . . . 0.0 109.238 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 27' ' ' ILE . 3.0 mp -74.09 -33.49 35.75 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 31' ' ' LEU . 39.1 tt0 -59.76 -36.2 76.16 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.574 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 29.7 mtpp -64.29 -44.52 91.41 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.95 -40.88 86.02 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.611 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 28' ' ' GLU . 96.5 mt -58.07 -47.91 81.73 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.483 0.182 . . . . 0.0 111.212 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -69.61 -37.22 76.79 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.748 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 58.3 t60 -65.17 -48.19 74.35 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.348 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 38' ' ' VAL . 67.7 mt -67.2 -40.7 85.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 122.693 0.397 . . . . 0.0 111.701 -175.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -62.25 -43.85 97.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -60.26 -45.71 92.36 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.35 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 30.4 mm-40 -62.08 -32.9 73.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.766 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 89.4 t -63.06 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.35 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.75 -44.0 97.76 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.31 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 25.1 t70 -60.61 -47.95 83.96 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.927 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.3 -34.65 76.53 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.695 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 52.8 mt-10 -61.81 -30.04 70.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -103.66 -13.52 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 118.956 -1.098 . . . . 0.0 111.649 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -94.17 -41.62 9.4 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.529 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.13 -68.4 0.02 OUTLIER Glycine 0 C--N 1.314 -0.651 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.237 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 t30 75.73 13.24 2.9 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.633 1.173 . . . . 0.0 109.363 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.93 -50.32 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.039 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -146.74 -18.26 0.42 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.784 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.62 -35.49 76.29 Favored 'General case' 0 C--O 1.195 -1.771 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.832 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.9 tptt -58.56 -51.02 71.66 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 123.8 0.687 . . . . 0.0 110.33 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -43.64 84.39 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -61.0 -44.89 96.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.505 178.753 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.88 -37.39 87.2 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-O 121.188 0.518 . . . . 0.0 111.518 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.493 HD21 ' HB ' ' A' ' 109' ' ' VAL . 73.9 mt -64.58 -33.14 75.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.52 0.676 . . . . 0.0 110.819 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.7 mmt180 -69.71 -29.81 67.3 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.471 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.55 -35.87 78.01 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.7 pp -70.26 -30.59 67.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.271 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 51.3 m -62.68 -40.67 97.84 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.209 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.8 t -66.39 -40.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.798 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 27.1 m -59.31 -48.81 80.24 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.895 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.27 -30.41 71.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.705 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.76 87.42 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.798 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.262 10.0 p90 -76.57 -34.8 58.45 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.265 -1.374 . . . . 0.0 111.736 -178.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.436 HG13 ' CE1' ' A' ' 24' ' ' PHE . 12.2 tt -68.24 -36.44 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 119.186 -1.006 . . . . 0.0 111.405 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.48 -37.93 89.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.75 -42.8 98.47 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -68.4 -31.16 70.32 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 122.257 -0.555 . . . . 0.0 110.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -40.54 89.72 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 121.093 0.473 . . . . 0.0 109.787 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -62.81 -27.7 70.53 Favored Glycine 0 N--CA 1.424 -2.156 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.892 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -71.03 -41.88 70.26 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -65.09 -39.72 93.58 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.346 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.12 -35.78 74.05 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.502 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.566 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.88 -43.73 71.22 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' HB2' ' A' ' 77' ' ' ARG . 25.6 mt-10 -63.95 -29.39 70.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 0.0 112.296 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.4 tt -60.25 -25.21 65.49 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.082 0.953 . . . . 0.0 109.655 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -102.38 -6.79 22.62 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 75.6 ttt180 -66.04 -22.9 66.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.611 0.765 . . . . 0.0 113.056 -171.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m 73.35 -32.68 0.25 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.668 0.787 . . . . 0.0 110.564 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 27.4 t70 -83.29 67.86 9.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.546 1.165 . . . . 0.0 109.446 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -155.07 153.23 30.58 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.97 173.04 6.52 Favored 'General case' 1 C--N 1.24 -4.155 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.1 pp -55.42 -30.03 59.69 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.291 0.496 . . . . 0.0 109.875 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 82' ' ' LEU . 3.0 tm? -57.69 -49.98 74.72 Favored 'General case' 0 CA--C 1.512 -0.515 0 C-N-CA 124.303 1.041 . . . . 0.0 109.833 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 42.2 mt-10 -71.79 -37.13 70.47 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.269 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -59.37 -39.76 84.31 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.044 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.12 -32.51 74.24 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.363 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -72.24 -36.81 69.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.601 0.761 . . . . 0.0 109.883 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.2 m-85 -71.11 -45.87 62.82 Favored 'General case' 0 CA--C 1.466 -2.256 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.14 -33.3 75.47 Favored 'General case' 0 N--CA 1.423 -1.817 0 O-C-N 123.751 0.657 . . . . 0.0 110.264 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.68 -44.8 63.6 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.127 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.11 74.08 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.206 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -61.95 -38.96 90.46 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.51 71.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.233 0.333 . . . . 0.0 110.666 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.49 -46.53 69.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.22 0.534 . . . . 0.0 110.069 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.62 89.46 Favored Glycine 0 N--CA 1.416 -2.639 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.631 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.26 -46.19 87.97 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.681 0.24 . . . . 0.0 111.179 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.93 -45.74 87.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.02 -28.23 64.25 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.893 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.88 -36.97 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -65.94 -33.42 75.79 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.069 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.42 -38.96 68.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.004 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.3 mt -54.81 -49.94 69.75 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 123.771 0.828 . . . . 0.0 110.146 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.25 -35.95 78.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.21 76.24 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.68 -34.53 72.09 Favored 'General case' 0 N--CA 1.428 -1.534 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.066 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.25 -46.83 87.46 Favored 'General case' 0 C--O 1.184 -2.358 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 176.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -67.99 -48.04 66.88 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.493 ' HB ' HD21 ' A' ' 54' ' ' LEU . 60.5 t -67.35 -39.75 83.38 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-O 121.184 0.516 . . . . 0.0 110.304 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -60.28 -33.3 72.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.455 1.502 . . . . 0.0 108.861 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.14 -32.77 59.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.785 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.301 -1.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.062 177.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -62.73 -43.65 98.25 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 122.943 0.497 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.97 -35.94 82.8 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.462 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -70.54 -27.97 64.56 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.059 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' A' ' 71' ' ' PHE . 4.8 m-30 -90.24 -11.51 40.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.461 0.648 . . . . 0.0 110.966 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -71.15 -16.05 62.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.5 -42.78 98.5 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.358 173.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.25 -34.05 36.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.239 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.14 -45.62 90.48 Favored 'General case' 0 C--O 1.25 1.124 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.289 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 32' ' ' LEU 0.283 22.3 pttp -66.73 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.223 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 14.4 m-85 -58.31 -45.33 88.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.728 0.299 . . . . 0.0 110.634 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.47 -44.76 92.94 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.345 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.5 pp -69.68 -35.26 74.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.553 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -59.27 -41.81 89.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.741 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.3 mt -65.76 -46.72 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.171 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.1 m -61.23 -41.0 96.11 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.83 -46.5 89.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.827 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -31.89 73.08 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.604 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.2 t -59.04 -44.96 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.594 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 19.9 t70 -67.88 -43.99 78.07 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 118.509 -1.276 . . . . 0.0 110.443 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.08 -45.4 93.04 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.621 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD11 ' HD3' ' A' ' 50' ' ' LYS . 4.5 pp -65.66 -35.54 81.09 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -176.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.3 mm-40 -63.16 -28.95 70.41 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.892 0.377 . . . . 0.0 110.47 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 28.5 mmtp -92.27 -29.46 16.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.277 1.037 . . . . 0.0 110.15 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 m -86.57 -0.56 56.39 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 113.679 -1.601 . . . . 0.0 111.317 -176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.64 -39.2 2.63 Favored Glycine 0 C--N 1.312 -0.753 0 C-N-CA 118.608 -1.758 . . . . 0.0 114.689 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' OD1' ' HE2' ' A' ' 50' ' ' LYS . 35.1 t30 67.65 40.62 2.46 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 122.443 1.116 . . . . 0.0 109.794 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.22 -48.61 67.33 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.309 -0.869 . . . . 0.0 112.566 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -155.7 -3.68 0.13 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.069 0.462 . . . . 0.0 110.875 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.15 -37.21 84.33 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.876 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.8 ttpt -62.05 -49.86 74.28 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 121.467 0.651 . . . . 0.0 111.399 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -58.66 -44.76 90.23 Favored 'General case' 0 C--N 1.274 -2.694 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.48 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 mtm105 -66.66 -40.5 88.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.018 0.437 . . . . 0.0 111.885 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HA ' ' A' ' 34' ' ' ILE . 46.2 tp -62.22 -36.65 82.6 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 121.53 0.681 . . . . 0.0 111.408 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.7 mt -63.79 -33.64 76.13 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.29 0.567 . . . . 0.0 109.659 174.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 30.3 mmt180 -68.92 -27.92 66.2 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 40.5 tt0 -65.76 -40.35 91.98 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.693 176.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.4 pp -72.65 -31.72 65.32 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.105 177.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.7 m -62.19 -46.97 86.57 Favored 'General case' 0 C--O 1.253 1.261 0 CA-C-O 122.069 0.938 . . . . 0.0 110.168 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 63' ' ' PHE . 10.5 p -65.66 -37.09 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.402 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.795 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 50.5 m -59.25 -29.91 67.89 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 121.528 0.68 . . . . 0.0 112.018 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 52.7 mt-10 -69.48 -39.43 77.69 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.07 75.11 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.218 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.795 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 2.6 m-85 -67.74 -44.03 78.53 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 19.0 mm -58.8 -49.57 82.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 O-C-N 123.355 0.409 . . . . 0.0 111.253 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.7 -34.56 78.6 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.044 0.45 . . . . 0.0 111.848 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.03 -41.28 48.74 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.237 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.1 p -71.79 -31.58 66.75 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 122.572 -0.37 . . . . 0.0 110.467 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 66.9 mtp180 -64.22 -44.25 92.48 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.916 174.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.665 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.2 -24.7 72.07 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 175.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' A' ' 67' ' ' SER . 60.5 t80 -70.63 -51.5 27.62 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 37.4 m-85 -63.49 -39.54 94.72 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.247 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 86.3 mt-30 -60.99 -38.15 84.96 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.1 mpt_? -70.61 -32.51 69.89 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 120.881 0.372 . . . . 0.0 111.933 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 8.9 mm-40 -63.21 -31.35 72.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.044 0.45 . . . . 0.0 110.645 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.27 -21.13 64.96 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.173 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -86.58 -7.17 58.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.886 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.4 -33.09 64.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.856 0.36 . . . . 0.0 111.332 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 m 73.81 -5.91 1.92 Allowed 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 123.941 0.896 . . . . 0.0 111.176 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -64.59 -36.32 83.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.804 0.812 . . . . 0.0 110.032 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -62.62 168.21 3.89 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 123.342 1.544 . . . . 0.0 110.854 176.799 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.84 -163.55 1.33 Allowed 'General case' 1 C--N 1.237 -4.312 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 -29.38 70.63 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 119.001 0.819 . . . . 0.0 110.832 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -49.69 74.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.795 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 13.5 mm-40 -71.8 -34.16 69.14 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.842 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 26.9 ttpp -57.28 -43.25 82.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.66 -33.5 74.07 Favored 'General case' 0 C--O 1.196 -1.741 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.226 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -73.53 -35.13 65.52 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 123.692 0.797 . . . . 0.0 110.087 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.653 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.0 m-85 -70.46 -45.71 65.24 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 48.5 mt-10 -65.33 -33.04 75.03 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.902 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.39 76.98 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.369 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -65.68 -43.06 90.38 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.573 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 75.2 mt -58.63 -39.82 81.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -35.68 66.3 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.823 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.9 m -69.55 -45.5 68.61 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.58 -36.07 87.48 Favored Glycine 0 N--CA 1.415 -2.733 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.867 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.79 -42.92 69.69 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.07 -45.78 80.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -70.9 -26.0 63.03 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.9 tt -68.12 -39.94 82.62 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.85 -33.58 76.18 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.081 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.36 -35.53 68.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.667 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.4 mt -60.9 -48.09 83.39 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 123.766 0.827 . . . . 0.0 109.68 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HE2' ' CD2' ' A' ' 99' ' ' LEU . 66.9 mttm -66.08 -35.0 79.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.41 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.98 70.38 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.254 0.55 . . . . 0.0 109.82 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -69.89 -33.28 71.99 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.36 -46.35 88.89 Favored 'General case' 0 C--O 1.19 -2.051 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.616 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -37.41 87.07 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.986 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -68.45 -43.31 77.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.721 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.33 -39.51 72.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 CA-C-O 121.016 0.436 . . . . 0.0 110.705 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.67 -46.81 87.91 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.378 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.7 -50.58 14.94 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.476 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 129.124 2.969 . . . . 0.0 118.013 177.717 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.101 0.477 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -66.35 -32.31 73.63 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.811 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -65.58 -40.42 92.73 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 23' ' ' ARG . 1.5 tpm_? -68.47 -26.54 65.54 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.483 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 7.0 m-85 -99.51 17.41 20.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.663 -0.815 . . . . 0.0 112.513 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -63.95 -30.96 71.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.0 mt-10 -68.93 -32.79 72.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.175 0.512 . . . . 0.0 110.666 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 98' ' ' LEU . 27.0 mm -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.47 -47.23 86.29 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.291 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 64.3 pttt -62.95 -38.87 92.81 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.986 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -58.6 -48.37 81.19 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.51 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.66 -47.71 85.02 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 123.391 0.432 . . . . 0.0 111.519 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.3 pp -70.17 -35.53 74.05 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.111 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 32' ' ' LEU . 58.5 t-80 -60.79 -49.17 78.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 123.912 0.885 . . . . 0.0 109.807 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.6 mt -62.22 -42.93 97.14 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.795 0 O-C-N 124.207 0.942 . . . . 0.0 110.686 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.447 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 15.5 m -60.46 -47.9 84.1 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.24 0.543 . . . . 0.0 111.228 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.69 -33.0 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.65 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 22.8 tt0 -68.47 -30.95 69.91 Favored 'General case' 0 C--O 1.196 -1.725 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.559 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 t -61.08 -47.14 94.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.55 -38.31 89.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.246 0.966 . . . . 0.0 110.899 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.75 -47.99 82.72 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.77 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 35.6 mt -61.99 -43.39 98.94 Favored 'General case' 0 CA--C 1.47 -2.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 46' ' ' ASN . 28.4 tt0 -60.28 -34.34 73.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.815 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -98.24 -17.86 18.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.661 0.744 . . . . 0.0 110.142 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.4 m -82.23 -28.85 31.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.751 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -61.28 0.1 OUTLIER Glycine 0 CA--C 1.493 -1.342 0 C-N-CA 119.606 -1.283 . . . . 0.0 111.945 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 5.3 t30 76.36 24.42 1.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.142 1.377 . . . . 0.0 108.11 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -68.53 -52.06 36.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.065 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.1 p-10 -157.72 12.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 123.245 1.498 . . . . 0.0 107.747 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 41' ' ' LEU . 20.4 mt-10 -72.09 -35.01 69.1 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 112.528 -2.124 . . . . 0.0 109.491 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 16.8 tptt -58.44 -48.6 80.18 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -60.3 -43.9 95.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.263 -1.335 . . . . 0.0 110.914 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 90.6 mtt180 -62.05 -45.33 94.04 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.808 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.5 tp -64.27 -36.35 83.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 121.582 0.706 . . . . 0.0 111.004 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 72.8 mt -65.4 -32.76 74.56 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.223 0.535 . . . . 0.0 110.595 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 89.3 mtt180 -67.28 -35.22 79.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 10.1 tp10 -61.84 -42.56 99.18 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.029 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.0 pp -69.2 -29.94 68.01 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 109.981 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 41.8 m -63.1 -41.32 99.36 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.209 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.76 -38.42 82.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.851 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.6 m -59.36 -43.14 92.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.091 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -69.45 -29.92 67.72 Favored 'General case' 0 C--O 1.211 -0.929 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.458 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.96 90.57 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 111.495 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.326 10.1 p90 -74.66 -30.45 61.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.289 -1.364 . . . . 0.0 112.217 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -63.46 -35.01 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 50.9 mt-10 -60.27 -45.17 94.26 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.62 85.12 Favored Glycine 0 C--O 1.246 0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.054 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -65.93 -37.75 86.88 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 67.1 ttt180 -68.16 -45.12 74.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.227 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -63.97 -27.06 70.76 Favored Glycine 0 N--CA 1.43 -1.716 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -71.04 -43.75 67.24 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 47.8 m-85 -61.65 -40.06 93.57 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 111.255 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 90.2 mt-30 -62.16 -41.66 98.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.482 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.6 mpt_? -69.93 -32.87 71.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.943 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 13.8 mm-40 -59.95 -30.3 68.99 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.221 0.608 . . . . 0.0 111.339 173.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.52 -16.64 62.89 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.003 0.43 . . . . 0.0 111.15 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -100.64 -5.09 27.16 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.747 0.819 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -53.14 -20.77 4.12 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.107 1.363 . . . . 0.0 113.284 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m 76.0 -42.74 0.46 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 110.766 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.19 90.57 4.4 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.876 0.846 . . . . 0.0 109.645 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -163.5 149.02 11.26 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 104.57 -2.382 . . . . 0.0 104.57 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.46 -162.31 1.1 Allowed 'General case' 0 C--N 1.253 -3.611 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.5 -30.79 69.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 118.184 0.447 . . . . 0.0 111.644 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -49.79 65.64 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 120.952 0.406 . . . . 0.0 110.555 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.7 mp0 -70.54 -43.77 68.87 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.412 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -56.46 -43.79 79.88 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.256 1.022 . . . . 0.0 109.552 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.95 -32.69 72.46 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.875 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.43 -38.2 71.39 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 124.903 1.281 . . . . 0.0 110.148 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.8 m-85 -71.95 -46.79 56.2 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 -31.65 70.95 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.368 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.11 70.08 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 118.502 -1.279 . . . . 0.0 110.192 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -71.53 -38.13 71.09 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.44 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 97.3 mt -59.14 -37.15 76.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.82 64.67 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.895 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -68.69 -42.97 77.06 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.97 -35.81 90.01 Favored Glycine 0 N--CA 1.425 -2.033 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.514 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 23.1 t70 -67.84 -45.7 73.9 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.834 0.317 . . . . 0.0 110.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.2 -44.86 86.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.41 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD13 HG21 ' A' ' 27' ' ' ILE . 4.5 pp -70.03 -26.7 64.17 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.244 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.3 tt -67.89 -36.62 80.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 7.4 mtpm? -68.66 -33.32 73.8 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.539 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.33 -39.1 89.02 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.897 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 105' ' ' LEU . 96.1 mt -58.08 -50.22 74.23 Favored 'General case' 0 N--CA 1.46 0.055 0 O-C-N 123.894 0.746 . . . . 0.0 110.455 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.54 -32.98 68.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.74 72.64 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.31 -34.7 73.02 Favored 'General case' 0 C--O 1.175 -2.831 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.33 -42.67 92.0 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.502 0.501 . . . . 0.0 109.737 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -37.11 80.34 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.286 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' ASP . 50.8 mtm180 -68.39 -42.92 78.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.888 0.851 . . . . 0.0 109.65 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' A' ' 50' ' ' LYS . 87.6 t -69.62 -39.53 78.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.825 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -59.61 -38.21 80.66 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' ARG . 13.0 t70 -68.35 -29.91 68.75 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.56 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.44 -0.934 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.895 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 C--O 1.243 0.753 0 CA-C-O 121.603 0.716 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -70.57 -38.0 74.04 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.947 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -62.34 -40.06 95.12 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -62.77 -38.75 91.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.699 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -91.07 -1.66 57.75 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.944 -1.102 . . . . 0.0 112.58 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -74.09 -21.38 59.93 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.45 -44.82 77.72 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.304 1.049 . . . . 0.0 108.315 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.63 -34.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.93 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 35.7 tt0 -59.57 -35.59 74.58 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.186 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -66.14 -39.78 90.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.867 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -58.61 -45.88 88.21 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.281 0.562 . . . . 0.0 109.641 171.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 2.6 tm? -57.57 -48.47 79.25 Favored 'General case' 0 C--O 1.252 1.219 0 C-N-CA 124.689 1.196 . . . . 0.0 111.065 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.34 -35.69 73.76 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.454 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 9.4 t-80 -64.14 -42.73 96.67 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.001 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.0 mt -62.68 -45.44 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 117.719 0.236 . . . . 0.0 110.544 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -63.95 -44.22 93.47 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-O 121.466 0.65 . . . . 0.0 110.353 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 49.9 t-80 -66.79 -31.4 72.01 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.33 0.586 . . . . 0.0 110.133 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.3 tp10 -65.74 -33.88 76.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 34' ' ' ILE . 58.2 t -64.08 -38.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 5.1 m-20 -60.28 -45.4 93.47 Favored 'General case' 0 C--O 1.265 1.912 0 CA-C-O 122.452 1.12 . . . . 0.0 110.613 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.4 -47.63 59.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.61 -172.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.07 -34.14 75.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 123.398 0.436 . . . . 0.0 110.495 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 41' ' ' LEU . 38.0 tt0 -61.53 -42.9 99.51 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 123.684 0.615 . . . . 0.0 110.77 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -81.62 -13.13 58.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.027 -1.069 . . . . 0.0 109.772 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 40.8 m -95.16 -4.29 46.32 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.319 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.12 -51.4 0.75 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.06 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.6 t30 71.6 73.43 0.17 Allowed 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 124.224 1.01 . . . . 0.0 110.916 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.254 34.2 mmtp -71.79 -48.65 45.09 Favored 'General case' 0 C--N 1.283 -2.31 0 C-N-CA 118.717 -1.193 . . . . 0.0 112.876 171.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -146.73 -13.76 0.43 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.965 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.74 -41.74 98.05 Favored 'General case' 0 C--O 1.191 -2.001 0 C-N-CA 123.22 0.608 . . . . 0.0 112.072 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.4 ttpp -64.98 -48.75 72.89 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.882 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.6 85.55 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.904 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -68.28 -44.57 75.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.406 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 30.5 tp -60.94 -37.9 83.97 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 123.947 0.899 . . . . 0.0 111.559 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 82.4 mt -64.46 -36.37 83.95 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 ttt180 -69.31 -36.89 77.44 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.8 tp10 -61.36 -43.14 99.38 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 109.434 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.497 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -71.32 -30.83 66.68 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 m -64.25 -39.66 94.4 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-O 121.484 0.659 . . . . 0.0 109.55 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' ARG . 61.0 t -66.59 -38.91 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.804 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 32.2 m -59.62 -46.09 90.0 Favored 'General case' 0 C--O 1.25 1.118 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.631 178.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -58.85 -36.03 73.9 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.746 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.56 76.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 7.3 p90 -76.75 -33.14 58.12 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.824 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -35.82 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.63 -31.66 68.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.58 -36.83 88.83 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 29.9 t -69.68 -32.67 71.41 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -63.86 -43.4 96.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.233 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.3 -24.66 69.22 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 174.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.471 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 59.0 t80 -70.64 -46.65 62.9 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 49.6 m-85 -65.16 -39.81 93.46 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -40.71 80.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.429 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 7.6 mpt_? -69.46 -37.52 77.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.463 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 11.0 mm-40 -65.13 -31.63 72.91 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.06 -20.89 65.77 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -110.46 -6.79 14.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.035 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.61 -28.4 67.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.161 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 m 75.79 -5.2 2.22 Favored 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.42 38.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.357 1.063 . . . . 0.0 109.925 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -142.39 154.17 44.39 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -110.66 176.83 4.88 Favored 'General case' 0 C--N 1.259 -3.363 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.37 -30.92 63.29 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.06 -49.97 72.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.56 0.744 . . . . 0.0 110.72 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 43.3 mt-10 -71.83 -37.88 70.23 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.763 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -56.27 -42.56 77.65 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -59.48 -32.77 70.56 Favored 'General case' 0 C--O 1.197 -1.705 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -74.6 -39.63 62.08 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 123.296 0.638 . . . . 0.0 109.867 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.9 m-85 -73.59 -42.21 61.85 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.79 -32.09 71.56 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 114.143 -1.389 . . . . 0.0 109.163 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.01 80.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.89 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -68.15 -41.16 82.01 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.093 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -57.81 -42.76 84.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.89 -36.53 75.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.7 m -68.67 -45.61 71.28 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.917 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.1 87.62 Favored Glycine 0 N--CA 1.415 -2.752 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.838 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.08 0.467 . . . . 0.0 110.422 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.1 -48.49 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.519 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.15 -27.56 64.64 Favored 'General case' 0 C--O 1.204 -1.304 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.21 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 14.4 mt -67.21 -37.43 83.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.11 -37.56 81.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.18 -38.19 75.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.359 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.88 -51.05 70.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.666 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 4.5 ptpp? -72.76 -29.25 63.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.399 -0.921 . . . . 0.0 113.082 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.44 70.49 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -71.03 -33.96 70.83 Favored 'General case' 0 C--O 1.18 -2.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' A' ' 103' ' ' LYS . 46.7 tt0 -58.38 -46.71 85.83 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 123.862 0.865 . . . . 0.0 109.771 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.1 -32.62 74.18 Favored 'General case' 0 C--O 1.183 -2.421 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -68.52 -48.88 63.2 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.445 0.698 . . . . 0.0 109.444 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.5 t -67.92 -38.37 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.312 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -65.45 -33.16 75.29 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.27 173.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 -17.84 54.85 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.616 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 CA--C 1.545 0.787 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.933 178.478 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.47 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -74.91 -34.76 62.2 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.674 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.01 -43.83 94.44 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.94 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -66.28 -32.86 74.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -84.06 0.0 50.04 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.083 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -72.44 -22.84 61.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.681 -0.407 . . . . 0.0 109.963 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.48 -40.34 95.49 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.785 0.802 . . . . 0.0 109.866 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.44 -34.9 25.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 6.1 tm-20 -59.77 -46.66 88.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.477 0.711 . . . . 0.0 109.481 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.67 -36.09 81.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.518 177.678 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -68.57 -34.16 75.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 62.0 tp -58.35 -43.43 88.35 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.725 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.3 pp -68.59 -35.11 76.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.79 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -59.13 -47.78 84.04 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.683 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.0 mm -62.58 -46.7 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 O-C-N 123.302 0.376 . . . . 0.0 110.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -64.28 -44.6 91.18 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.211 0.529 . . . . 0.0 110.656 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.509 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 20.4 t60 -70.27 -31.11 68.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 122.101 -0.375 . . . . 0.0 111.359 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.0 tp10 -59.68 -37.15 77.99 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 34' ' ' ILE . 39.8 t -64.69 -45.03 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 64.0 m-20 -59.21 -45.18 91.77 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 122.322 1.058 . . . . 0.0 109.658 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.12 -47.1 63.22 Favored 'General case' 0 N--CA 1.405 -2.693 0 CA-C-N 113.403 -1.726 . . . . 0.0 109.978 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.37 -35.15 77.29 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.394 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 mt-10 -70.02 -24.96 63.37 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -13.17 26.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.051 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 m -95.14 -58.31 2.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.715 -174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.82 -57.63 0.01 OUTLIER Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.482 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 75.19 4.97 4.22 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.428 1.091 . . . . 0.0 110.186 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -66.04 -48.48 70.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.827 -1.078 . . . . 0.0 113.332 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.18 -22.95 1.53 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.538 0.685 . . . . 0.0 111.323 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.296 43.4 mt-10 -66.49 -32.87 74.5 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' CE ' HG13 ' A' ' 109' ' ' VAL . 38.5 tptt -55.72 -43.49 76.57 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.873 0.844 . . . . 0.0 108.986 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.85 78.54 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.082 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.09 -40.14 88.57 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.672 HD21 HG22 ' A' ' 38' ' ' VAL . 7.2 tp -57.91 -50.12 74.44 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 124.587 1.155 . . . . 0.0 111.148 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 35.9 mt -67.18 -34.68 78.05 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.386 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -68.79 -35.69 77.35 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.35 -36.76 77.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.781 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD11 ' A' ' 102' ' ' LEU . 3.1 pp -74.09 -29.75 62.02 Favored 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.454 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 m -61.06 -38.89 87.82 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.315 0.579 . . . . 0.0 110.293 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.7 t -65.84 -39.89 86.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.84 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -62.42 -42.55 99.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 126.218 1.807 . . . . 0.0 108.332 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 -44.31 63.88 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.586 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.84 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.335 6.8 p90 -76.43 -31.91 58.15 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 117.576 -1.65 . . . . 0.0 112.387 -178.045 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 60' ' ' SER . 5.4 tp -64.37 -37.91 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.873 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.69 -39.89 95.45 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.94 93.54 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.522 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.8 m -73.73 -34.89 64.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 122.431 -0.452 . . . . 0.0 110.347 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 68.7 mtp180 -69.23 -41.39 77.09 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.599 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -64.63 -21.36 66.97 Favored Glycine 0 N--CA 1.422 -2.248 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.462 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.513 ' HA ' ' HD3' ' A' ' 73' ' ' ARG . 64.1 t80 -70.36 -48.17 57.59 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.51 -37.7 87.07 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.238 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 94.6 mt-30 -54.71 -44.77 73.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 173.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' A' ' 69' ' ' GLY 0.324 0.0 OUTLIER -69.74 -30.66 68.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 119.029 -1.068 . . . . 0.0 111.891 174.86 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 7.6 mm-40 -61.63 -29.75 70.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.097 0.475 . . . . 0.0 110.977 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.39 -20.98 66.21 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.503 0.668 . . . . 0.0 110.573 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 49.3 tttp -98.99 -7.75 26.45 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.599 1.16 . . . . 0.0 109.467 -175.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 7.6 ttt-85 -63.52 -27.4 69.24 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.703 1.201 . . . . 0.0 111.31 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.6 m 75.34 -37.18 0.33 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.647 1.179 . . . . 0.0 111.03 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.15 79.1 9.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.003 0.906 . . . . 0.0 110.197 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -161.94 156.13 21.99 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 103.274 -2.862 . . . . 0.0 103.274 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.47 -167.63 1.55 Allowed 'General case' 0 C--N 1.256 -3.492 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.7 -30.35 70.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.57 -49.78 75.27 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.214 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 39.7 mt-10 -72.61 -37.36 68.11 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.627 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.75 -37.62 76.62 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.153 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.89 -37.74 88.13 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.255 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -74.09 -32.51 63.27 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 124.086 0.955 . . . . 0.0 111.218 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 9.2 m-85 -72.06 -40.58 68.23 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.64 -31.73 71.09 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.3 81.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.703 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -63.75 -43.19 97.18 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.48 0.712 . . . . 0.0 110.695 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.7 mt -59.18 -36.4 75.27 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.192 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.67 -37.49 65.24 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 123.507 0.504 . . . . 0.0 110.657 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -43.54 81.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.433 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.25 -38.29 87.45 Favored Glycine 0 N--CA 1.419 -2.446 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.058 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.26 -47.33 86.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.83 0.452 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.83 -48.08 80.61 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.085 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.456 HD11 HG12 ' A' ' 64' ' ' ILE . 3.0 pp -70.72 -29.02 65.17 Favored 'General case' 0 C--O 1.199 -1.597 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.395 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.21 -37.1 77.89 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -68.92 -33.18 73.32 Favored 'General case' 0 N--CA 1.411 -2.38 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.205 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.63 -40.88 63.44 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 109.667 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 57' ' ' LEU . 22.0 tp -59.81 -49.3 78.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.659 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 65.5 mttp -71.78 -29.14 64.15 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.644 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.73 73.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -70.54 -32.98 70.64 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.539 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 54.1 mt-30 -58.56 -45.23 89.43 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 71.1 mmtt -64.48 -32.15 73.66 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 123.532 0.52 . . . . 0.0 109.949 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 72.9 ttt180 -68.66 -48.15 64.73 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 124.134 0.974 . . . . 0.0 109.14 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.494 HG13 ' CE ' ' A' ' 50' ' ' LYS . 41.4 t -58.54 -48.68 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.809 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.496 1.518 . . . . 0.0 110.609 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.87 -40.84 68.66 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.319 -0.75 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.793 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -31.03 61.1 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.84 -36.58 78.33 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.433 0.635 . . . . 0.0 110.25 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -71.94 -40.54 68.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.726 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -89.05 5.62 43.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -69.04 -31.61 70.53 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.98 -41.67 98.27 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 122.184 0.992 . . . . 0.0 109.421 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -77.32 -34.76 21.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.609 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 42.5 tt0 -65.81 -46.47 78.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.02 78.97 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.002 0.429 . . . . 0.0 110.2 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 34' ' ' ILE . 51.0 t80 -62.36 -42.88 99.76 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.314 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.91 -40.99 95.22 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 123.346 0.658 . . . . 0.0 109.333 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 28.4 mt -64.92 -42.32 94.81 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -59.5 -37.86 79.39 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.434 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 38' ' ' VAL . 68.3 mt -62.37 -42.25 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.825 0.45 . . . . 0.0 110.132 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -66.2 -39.35 89.6 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.559 0.695 . . . . 0.0 109.739 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -69.47 -31.76 70.26 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 15.4 tp10 -63.9 -41.06 97.79 Favored 'General case' 0 C--O 1.197 -1.676 0 C-N-CA 123.945 0.898 . . . . 0.0 108.868 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 76.5 t -58.83 -48.61 85.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.247 0 C-N-CA 124.316 1.046 . . . . 0.0 108.236 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -58.6 -43.83 89.67 Favored 'General case' 0 C--O 1.282 2.771 0 CA-C-O 122.556 1.17 . . . . 0.0 110.919 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.31 -48.6 72.55 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.085 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 3.7 pp -65.84 -33.95 77.03 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.483 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 31.8 mm-40 -59.59 -35.44 74.3 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 123.681 0.613 . . . . 0.0 111.389 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 -14.22 21.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.336 -1.345 . . . . 0.0 111.618 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.3 m -90.87 -39.25 12.43 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.259 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.85 -50.8 0.17 Allowed Glycine 0 C--N 1.312 -0.775 0 C-N-CA 119.778 -1.201 . . . . 0.0 112.966 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 57.34 31.66 20.52 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.981 1.713 . . . . 0.0 111.626 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.48 -50.44 63.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.46 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -150.68 -9.74 0.25 Allowed 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 122.404 1.097 . . . . 0.0 109.313 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.86 -34.48 74.66 Favored 'General case' 0 C--O 1.2 -1.525 0 C-N-CA 125.745 1.618 . . . . 0.0 111.045 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 65.4 tttt -65.42 -48.5 72.57 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 120.772 0.32 . . . . 0.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.32 85.44 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.132 0.491 . . . . 0.0 110.239 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.71 -42.54 99.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.009 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.8 tp -61.27 -38.17 85.78 Favored 'General case' 0 N--CA 1.428 -1.564 0 C-N-CA 123.651 0.78 . . . . 0.0 111.537 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.5 mp -64.52 -33.73 76.59 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.81 0.814 . . . . 0.0 111.203 174.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -69.73 -25.18 63.72 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.7 174.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 9.0 tp10 -70.22 -37.79 75.09 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.268 4.0 pp -72.56 -29.26 63.39 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 177.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 24.2 m -62.18 -39.26 92.08 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.49 -38.72 83.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.785 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.8 m -60.54 -46.63 89.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.06 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.1 pt-20 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.87 86.53 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.785 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 16.0 p90 -75.8 -31.36 59.39 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 117.986 -1.486 . . . . 0.0 110.782 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 98' ' ' LEU . 6.7 mm -60.22 -48.45 88.05 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.71 -28.34 64.67 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.341 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.39 -46.03 81.17 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 174.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 p -68.96 -35.55 76.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 92' ' ' LEU . 68.2 mtp180 -62.72 -42.28 99.58 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 175.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.63 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.89 -25.38 71.9 Favored Glycine 0 N--CA 1.419 -2.495 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.09 -49.72 41.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 31.9 m-85 -59.86 -40.43 88.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.653 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -65.73 -39.48 91.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.63 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.8 -33.96 73.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.127 0.489 . . . . 0.0 111.568 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -70.3 -37.51 74.79 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.76 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 tp -66.53 -15.92 63.76 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.68 0.753 . . . . 0.0 110.765 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 81.6 tttt -82.65 -15.91 50.29 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.027 0.931 . . . . 0.0 110.195 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' ' 79' ' ' ASP . 54.5 mtt180 -69.96 -34.46 73.44 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 m 77.28 -22.65 0.27 Allowed 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 3.9 p30 -65.98 -15.72 63.25 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 121.748 0.785 . . . . 0.0 111.754 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 6.3 mp -55.54 171.22 0.21 Allowed 'General case' 0 CA--C 1.476 -1.879 0 C-N-CA 127.716 2.406 . . . . 0.0 111.331 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.6 -176.78 4.09 Favored 'General case' 1 C--N 1.234 -4.433 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.87 -30.4 70.12 Favored 'General case' 0 C--O 1.191 -2.007 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.04 -48.84 80.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.173 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 21.9 mm-40 -71.7 -48.1 49.57 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.722 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.98 -44.4 78.52 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.638 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -68.17 -32.33 72.5 Favored 'General case' 0 C--O 1.188 -2.163 0 O-C-N 123.157 0.285 . . . . 0.0 110.764 -176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.75 -40.57 63.4 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.3 m-85 -76.77 -42.12 42.06 Favored 'General case' 0 CA--C 1.484 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.44 -33.59 76.05 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.93 71.2 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.526 -1.269 . . . . 0.0 109.564 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.53 -43.57 76.45 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.469 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 4.4 pp -65.37 -33.94 77.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.471 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.95 -30.51 62.58 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 m -67.9 -41.65 82.38 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.2 -44.76 97.71 Favored Glycine 0 N--CA 1.417 -2.575 0 CA-C-N 114.005 -1.452 . . . . 0.0 112.422 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.7 -41.33 92.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 117.251 0.526 . . . . 0.0 110.498 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.0 mt -65.44 -43.77 89.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.232 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.6 pp -72.38 -27.65 62.51 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.649 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.19 -46.43 77.36 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -69.35 -31.24 69.54 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.717 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.03 -34.59 76.76 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 87.4 mt -58.04 -48.67 79.38 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 99.8 mttt -69.12 -27.23 65.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.056 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.1 73.73 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.73 -34.32 71.77 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.72 -41.94 87.55 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.958 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.8 mmtt -65.84 -35.52 80.9 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.388 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.74 -45.09 75.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.503 0.668 . . . . 0.0 109.552 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 54' ' ' LEU . 60.5 t -67.58 -39.3 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.677 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -59.6 -38.45 81.29 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -76.25 -18.2 59.12 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.886 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.414 -2.248 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.475 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 CA--C 1.515 -0.401 0 CA-C-O 121.197 0.522 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -41.7 97.45 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.155 0.982 . . . . 0.0 110.005 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.67 -36.38 76.33 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.613 0.765 . . . . 0.0 110.953 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -75.77 -39.22 57.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.118 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -84.94 -4.82 59.28 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.429 0.633 . . . . 0.0 112.245 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -68.15 -27.46 66.45 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.546 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 18.9 mm-40 -72.45 -29.84 64.04 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.607 0.717 . . . . 0.0 109.963 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.5 mp -78.4 -35.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 19.4 tp10 -59.23 -39.91 84.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 39.8 ttmt -59.33 -39.82 84.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.256 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 25.1 m-85 -59.59 -44.89 93.23 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.52 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.2 -39.85 80.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 120.955 0.407 . . . . 0.0 111.513 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 23.9 mt -63.57 -47.05 83.11 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.38 -45.72 90.65 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.502 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' VAL . 73.7 mt -62.68 -46.09 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -64.14 -41.97 96.99 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.967 0.413 . . . . 0.0 110.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.13 -39.11 91.45 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 109.752 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -30.3 67.85 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 47.7 t -62.9 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.9 -45.07 87.47 Favored 'General case' 0 C--O 1.265 1.882 0 CA-C-O 122.124 0.964 . . . . 0.0 110.427 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.99 -44.52 95.8 Favored 'General case' 0 C--O 1.194 -1.863 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.141 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.1 pp -64.44 -35.01 79.54 Favored 'General case' 0 CA--C 1.483 -1.626 0 O-C-N 123.373 0.421 . . . . 0.0 110.81 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.3 tm-20 -63.1 -34.48 77.69 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.7 -36.03 17.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.015 0.912 . . . . 0.0 110.007 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 23.3 m -68.91 -10.73 58.71 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 125.752 1.621 . . . . 0.0 112.097 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.39 -37.83 2.53 Favored Glycine 0 N--CA 1.463 0.455 0 C-N-CA 119.125 -1.512 . . . . 0.0 114.394 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 71.68 19.12 5.08 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 122.232 1.015 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' OE1' ' A' ' 49' ' ' GLU . 6.5 ptpp? -67.05 -47.55 71.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.573 -173.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.84 -17.66 3.14 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 122.036 0.922 . . . . 0.0 109.758 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.549 ' OE1' ' HG2' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -59.87 -35.77 75.51 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.024 -171.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.691 ' HE2' ' O ' ' A' ' 109' ' ' VAL . 9.2 tptm -65.45 -50.53 65.05 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.317 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.949 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -66.03 -48.59 70.62 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.968 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.77 -35.59 77.25 Favored 'General case' 0 N--CA 1.423 -1.779 0 CA-C-O 121.307 0.575 . . . . 0.0 110.962 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 93.5 mt -62.26 -33.18 74.12 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.191 0.52 . . . . 0.0 111.036 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.0 ttm180 -69.34 -37.35 77.65 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.43 -35.51 79.48 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.789 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.4 pp -71.84 -32.08 67.16 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.793 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 42.9 m -64.95 -35.75 82.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 121.844 0.83 . . . . 0.0 109.821 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 55' ' ' ARG . 48.5 t -69.3 -43.12 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.821 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 19.4 m -62.84 -31.15 72.11 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 123.287 1.518 . . . . 0.0 110.432 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' THR . 24.3 tt0 -67.98 -37.4 81.48 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-N 112.052 -2.34 . . . . 0.0 107.257 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.11 63.7 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.898 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 2.5 m-85 -63.94 -41.4 97.62 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 32.9 mm -59.22 -45.26 93.06 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.738 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' HH21 ' A' ' 68' ' ' ARG . 11.1 mm-40 -56.61 -45.27 81.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 111.77 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.78 95.9 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.6 m -69.74 -32.35 70.84 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 43.2 mtm105 -67.91 -39.61 83.56 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.287 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.711 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.99 -31.54 79.78 Favored Glycine 0 N--CA 1.42 -2.401 0 C-N-CA 120.249 -0.977 . . . . 0.0 110.693 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -70.63 -52.03 24.05 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 121.292 0.567 . . . . 0.0 109.666 -173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -65.89 -38.81 89.74 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.738 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -59.12 -40.03 84.16 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.335 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.711 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.9 mpt_? -69.59 -44.69 70.25 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.826 -0.17 . . . . 0.0 110.742 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.62 -29.45 70.06 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD11 ' HG3' ' A' ' 85' ' ' LYS . 28.9 tp -66.18 -15.86 63.5 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.755 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 20.9 pttm -96.07 -5.29 41.25 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 121.952 -0.467 . . . . 0.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -50.74 -19.66 1.02 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.577 1.951 . . . . 0.0 115.118 -167.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.9 m 75.87 -46.66 0.56 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.719 0.808 . . . . 0.0 110.336 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -92.11 74.59 5.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 123.175 1.464 . . . . 0.0 111.09 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -159.52 152.98 22.48 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -127.11 -161.88 1.11 Allowed 'General case' 0 C--N 1.268 -2.972 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.06 -30.55 69.29 Favored 'General case' 0 C--O 1.202 -1.405 0 CA-C-N 118.043 0.383 . . . . 0.0 111.004 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.3 -48.54 77.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.506 0.669 . . . . 0.0 111.484 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 9.5 mp0 -71.26 -45.4 63.26 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.201 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' A' ' 75' ' ' LEU . 23.4 ttmm -55.59 -40.88 72.61 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 114.286 -1.324 . . . . 0.0 109.767 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.22 -36.71 83.74 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.377 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -74.51 -32.75 62.61 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 122.973 0.509 . . . . 0.0 111.054 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.6 m-30 -68.78 -45.36 71.55 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 58.5 mt-10 -67.97 -32.43 72.85 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.628 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.36 79.28 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.796 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -64.43 -41.78 96.4 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 96.4 mt -59.25 -41.91 89.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.359 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 -35.28 67.98 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -66.27 -44.7 82.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -41.61 95.66 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.32 -49.92 75.99 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 122.775 0.43 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.604 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.68 -28.63 63.86 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.603 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 6.6 tt -69.52 -40.63 76.8 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 122.312 1.053 . . . . 0.0 108.33 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -71.81 -31.02 66.12 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.798 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.18 -38.8 82.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 106' ' ' GLN . 79.8 mt -54.95 -48.37 73.28 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.589 173.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -61.46 -38.15 86.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.544 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.28 68.01 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 109' ' ' VAL . 1.2 pp -70.45 -33.82 71.73 Favored 'General case' 0 C--O 1.174 -2.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -59.12 -44.11 91.98 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 124.374 1.069 . . . . 0.0 109.187 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.33 -34.29 77.65 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.335 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -67.35 -42.04 84.18 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.759 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.691 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 60.1 t -70.56 -38.74 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.337 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -49.68 -46.93 50.42 Favored 'General case' 0 CA--C 1.489 -1.399 0 C-N-CA 123.353 0.661 . . . . 0.0 110.307 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.5 -50.37 6.58 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 117.246 -1.781 . . . . 0.0 110.967 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.491 1.588 0 C-N-CA 127.752 2.421 . . . . 0.0 115.924 -179.544 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 p -75.34 -35.28 61.2 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.14 0.495 . . . . 0.0 111.781 -176.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.09 -36.31 77.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.55 -34.62 77.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -95.43 14.76 21.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 27.1 t60 -72.77 -29.38 63.26 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 1.4 mp0 -63.28 -40.87 98.59 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.294 0.568 . . . . 0.0 110.888 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.0 -34.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.532 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -66.45 -39.61 88.96 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.299 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 14.1 ptmm? -66.86 -36.47 82.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.55 0.691 . . . . 0.0 109.545 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.72 -37.39 82.16 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.83 -37.01 82.84 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 47.3 mt -65.48 -44.48 87.01 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 176.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.66 -39.01 82.99 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.129 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.6 mm -61.81 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.51 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 26.0 m -62.85 -44.07 97.12 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 121.484 0.659 . . . . 0.0 110.39 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.405 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 40.0 m-70 -70.81 -30.55 67.03 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.43 -32.8 74.34 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.8 t -62.37 -50.64 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.606 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 70.5 m-20 -55.18 -42.58 73.38 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.499 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.17 -45.67 55.2 Favored 'General case' 0 N--CA 1.402 -2.866 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.493 -173.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -68.9 -34.24 75.09 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 38' ' ' VAL . 2.8 tp10 -61.81 -40.91 96.91 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -13.18 50.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.437 1.113 . . . . 0.0 110.081 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 2.6 m -83.61 -33.61 25.29 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.082 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.71 -46.08 0.79 Allowed Glycine 0 CA--C 1.478 -2.227 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.024 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.479 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 32.0 t30 67.47 60.9 0.47 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.861 0.839 . . . . 0.0 111.25 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -72.01 -50.43 28.69 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.518 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.69 -0.3 1.75 Allowed 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.22 -36.95 85.74 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.923 -172.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HD2' HG12 ' A' ' 109' ' ' VAL . 3.3 tppp? -62.17 -49.54 75.41 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -62.86 -44.62 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.026 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -59.82 -47.13 86.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 34.4 tp -65.14 -39.33 92.87 Favored 'General case' 0 N--CA 1.408 -2.54 0 CA-C-O 121.145 0.498 . . . . 0.0 111.928 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 109' ' ' VAL . 76.4 mt -69.96 -33.91 72.7 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.079 -0.649 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 97.4 mtt180 -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.0 tp10 -62.06 -43.93 97.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.273 1.029 . . . . 0.0 109.185 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HB2' HD12 ' A' ' 102' ' ' LEU . 3.8 pp -71.3 -29.98 65.7 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 63.1 m -62.9 -39.21 93.81 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 122.241 1.019 . . . . 0.0 109.187 175.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.62 -38.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.817 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 20.3 m -61.68 -46.97 87.43 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.632 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.4 pt-20 -64.27 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.34 80.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.703 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.817 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.281 9.3 p90 -76.68 -31.47 57.28 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.207 -178.596 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.65 -33.97 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.195 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 36.4 tt0 -67.56 -34.35 76.87 Favored 'General case' 0 N--CA 1.435 -1.194 0 O-C-N 121.799 -0.563 . . . . 0.0 109.498 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.25 93.66 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.15 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 p -69.69 -32.36 70.91 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' A' ' 65' ' ' GLU . 57.1 mtm180 -67.83 -41.27 83.26 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.971 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -61.51 -26.79 66.96 Favored Glycine 0 N--CA 1.431 -1.671 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.0 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -70.35 -46.18 64.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.34 -39.79 88.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.736 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.7 -36.57 81.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.571 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 16.8 mmm180 -71.12 -39.91 71.76 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.98 0.419 . . . . 0.0 110.583 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.95 -29.93 69.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 75' ' ' LEU . 5.6 tt -60.87 -23.83 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.655 1.182 . . . . 0.0 109.276 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.59 -6.49 58.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.76 -54.3 20.39 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.9 m 75.79 3.76 3.84 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 122.355 1.074 . . . . 0.0 110.511 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.51 -26.13 63.45 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.744 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 5.7 mp -97.43 -178.65 4.22 Favored 'General case' 0 N--CA 1.41 -2.441 0 C-N-CA 124.382 1.073 . . . . 0.0 110.845 -176.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.7 t70 -108.76 -158.85 0.66 Allowed 'General case' 0 C--N 1.267 -3.016 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.421 -172.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -57.77 -27.54 63.16 Favored 'General case' 0 C--O 1.191 -1.998 0 CA-C-O 121.114 0.483 . . . . 0.0 109.98 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.249 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.8 pt-20 -71.13 -54.15 12.07 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 118.317 -1.353 . . . . 0.0 108.892 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 13.3 mptt -56.03 -43.63 77.99 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.948 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.44 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 83.4 t80 -68.81 -33.03 73.17 Favored 'General case' 0 N--CA 1.419 -1.982 0 O-C-N 123.888 0.742 . . . . 0.0 111.691 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -73.73 -37.42 65.11 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 84' ' ' GLU . 5.7 m-85 -76.38 -44.04 38.04 Favored 'General case' 0 CA--C 1.464 -2.335 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.3 pt-20 -66.68 -31.96 72.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.78 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.28 70.43 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.13 -34.65 73.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.2 mt -63.32 -38.51 91.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.01 62.36 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.49 0.494 . . . . 0.0 110.177 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.3 m -64.48 -47.12 80.17 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.507 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -68.17 -39.86 88.17 Favored Glycine 0 N--CA 1.423 -2.169 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.424 -177.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.78 -42.09 77.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.301 0.55 . . . . 0.0 110.32 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.98 -42.4 89.87 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 64' ' ' ILE . 4.1 pp -71.33 -28.74 64.3 Favored 'General case' 0 C--O 1.201 -1.499 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.523 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -67.62 -40.82 84.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -63.86 -33.6 76.06 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.907 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.73 -36.36 70.45 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 57' ' ' LEU . 3.0 mm? -57.2 -46.21 83.08 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.67 -41.48 83.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.606 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.27 72.24 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.41 -34.46 74.52 Favored 'General case' 0 C--O 1.18 -2.602 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.433 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.5 tt0 -59.97 -37.93 81.04 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 123.224 0.328 . . . . 0.0 111.353 177.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.54 -36.73 81.55 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -68.06 -41.16 82.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.862 0.839 . . . . 0.0 110.146 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.64 HG12 ' HD2' ' A' ' 50' ' ' LYS . 90.4 t -68.73 -38.46 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.803 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -62.85 -35.84 81.29 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.15 -35.13 79.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.637 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.557 1.227 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.253 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 121.133 0.492 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -70.42 -33.82 71.79 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.166 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -68.75 -39.96 80.04 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.175 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 20' ' ' ALA . 16.0 ptm180 -77.6 -17.74 57.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.136 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.435 ' HA ' HD13 ' A' ' 27' ' ' ILE . 14.3 m-30 -110.53 13.2 22.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.133 0.492 . . . . 0.0 111.168 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.22 -41.94 97.74 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.28 175.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 24' ' ' PHE . 4.1 mp -68.58 -34.57 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.363 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.67 -37.07 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 120.987 0.422 . . . . 0.0 110.102 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.73 -38.68 91.82 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.914 175.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 34' ' ' ILE . 46.9 m-85 -60.27 -42.56 95.66 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.195 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.55 -47.97 80.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.183 0.516 . . . . 0.0 110.07 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.48 -34.81 74.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.664 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 31.9 t-80 -64.94 -39.38 93.4 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.213 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 30' ' ' PHE . 48.4 mm -62.76 -46.58 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -60.41 -40.5 91.22 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.378 0.608 . . . . 0.0 109.782 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.57 -46.78 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.212 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 9.5 mm-40 -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.489 0.493 . . . . 0.0 109.917 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 56.1 t -65.27 -50.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.81 -37.79 87.22 Favored 'General case' 0 C--O 1.271 2.235 0 CA-C-O 122.201 1.001 . . . . 0.0 109.723 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.02 -47.4 84.92 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.046 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 4.6 pp -66.69 -33.73 76.29 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 74.6 mm-40 -59.32 -29.57 67.73 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 123.671 0.607 . . . . 0.0 110.484 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -106.47 -11.83 15.81 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.074 -1.05 . . . . 0.0 112.872 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -107.02 -43.84 4.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -172.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.8 -88.88 0.07 OUTLIER Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.241 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 1.1 p30 109.19 -3.9 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 128.185 2.594 . . . . 0.0 111.333 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -64.22 -48.82 74.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -166.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.3 p-10 -126.1 -10.36 6.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.595 0.712 . . . . 0.0 109.904 176.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -68.46 -36.85 79.59 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 125.408 1.483 . . . . 0.0 112.883 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 11.2 tptm -67.38 -47.34 70.65 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -176.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.38 79.44 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.065 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 31.2 ttt180 -63.5 -48.89 75.74 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 124.515 1.126 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 3.9 pp -67.86 -31.53 71.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.5 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 69.7 mt -64.16 -34.26 77.66 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 121.531 0.681 . . . . 0.0 110.114 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 ttt180 -69.25 -36.31 77.01 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.16 -34.82 71.33 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.771 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' A' ' 102' ' ' LEU . 3.8 pp -71.39 -32.72 68.78 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.5 m -62.37 -38.46 89.68 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 123.724 0.81 . . . . 0.0 110.751 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' ARG . 74.0 t -70.66 -39.08 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 175.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.8 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.8 m -61.26 -41.93 97.77 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 122.581 1.181 . . . . 0.0 109.548 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -63.62 -33.12 74.91 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.832 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.56 60.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.447 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.8 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.368 3.4 p90 -72.04 -31.26 65.99 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.211 -0.996 . . . . 0.0 113.605 177.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.626 HG13 HD11 ' A' ' 98' ' ' LEU . 14.8 mm -65.53 -40.86 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.399 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.5 -43.56 98.65 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.93 -44.01 98.4 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.635 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -71.75 -36.8 70.54 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.776 -0.249 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' PHE . 39.7 ptt180 -69.7 -33.35 72.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.697 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -67.65 -27.28 73.6 Favored Glycine 0 N--CA 1.429 -1.808 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -71.06 -38.72 72.48 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 68' ' ' ARG . 20.2 m-85 -64.97 -40.65 95.31 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.98 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 15.7 mm100 -56.58 -42.0 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.481 0.488 . . . . 0.0 109.868 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -62.4 -43.61 98.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 176.252 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 40.4 mt-10 -68.19 -31.32 70.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.008 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 96.1 mt -71.85 -17.82 62.11 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 3.7 mmmp? -90.78 -13.03 34.73 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 74' ' ' GLU . 99.2 mtt180 -66.81 -20.67 65.98 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.327 0.584 . . . . 0.0 109.882 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 m 73.54 -32.59 0.24 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.52 1.528 . . . . 0.0 114.204 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.91 -76.13 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.001 0.52 . . . . 0.0 111.649 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 75' ' ' LEU . 7.0 mp 58.38 171.87 0.06 Allowed 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.525 1.631 . . . . 0.0 114.998 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.93 152.14 51.27 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-N 111.828 -2.442 . . . . 0.0 104.679 168.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.45 -40.11 93.27 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 118.425 0.557 . . . . 0.0 110.774 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.57 -38.31 80.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.12 0.486 . . . . 0.0 110.477 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.2 -41.41 85.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.444 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 27.4 ttpp -60.94 -39.27 88.82 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.16 -34.22 74.67 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.246 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -74.1 -39.43 63.38 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.077 1.351 . . . . 0.0 109.028 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.1 m-85 -69.12 -45.32 70.46 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.21 -31.99 72.75 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.372 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.08 74.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.363 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.82 74.99 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.452 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -58.25 -41.91 85.23 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.66 -29.01 62.06 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.4 m -75.33 -39.69 59.16 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.73 -41.07 89.74 Favored Glycine 0 N--CA 1.415 -2.727 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 26.2 t70 -57.71 -49.3 76.97 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 122.738 0.415 . . . . 0.0 110.563 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 78.8 mt -62.75 -46.35 88.47 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.626 HD11 HG13 ' A' ' 64' ' ' ILE . 4.6 pp -70.67 -26.89 63.64 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.292 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.53 -38.4 84.16 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.579 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 5.1 mptp? -68.9 -32.84 72.77 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.995 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.32 -45.81 75.35 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 57' ' ' LEU . 71.9 mt -60.3 -51.04 71.22 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.543 1.137 . . . . 0.0 111.582 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.431 ' O ' ' HE2' ' A' ' 107' ' ' LYS . 67.0 mttm -69.95 -35.22 74.32 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.87 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.24 71.15 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.006 0.431 . . . . 0.0 110.274 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -71.22 -33.88 70.31 Favored 'General case' 0 C--O 1.184 -2.387 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.499 ' HG2' HD22 ' A' ' 54' ' ' LEU . 21.6 tm0? -63.98 -38.53 91.43 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -68.45 -33.03 73.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.295 175.475 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -68.71 -41.99 78.32 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 105' ' ' LEU . 94.4 t -63.65 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.37 -33.25 75.53 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.868 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.42 -42.65 68.02 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.787 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.273 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.687 0.28 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 p -73.35 -29.0 62.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.327 0.584 . . . . 0.0 110.918 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -67.33 -35.2 78.92 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.155 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -72.64 -48.53 38.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.971 174.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.1 81.81 5.06 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.838 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 -27.38 2.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.35 -39.6 65.08 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.252 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.9 tp -69.68 -34.23 60.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.703 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 9.4 tp10 -63.35 -48.19 79.0 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.224 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.97 -36.43 84.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.304 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.1 m-85 -57.7 -44.12 85.65 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 123.161 0.288 . . . . 0.0 110.508 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.68 -45.91 85.0 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.803 0.69 . . . . 0.0 109.248 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 21.4 mt -63.58 -44.87 92.8 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 122.084 0.945 . . . . 0.0 109.794 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -67.68 -36.24 80.32 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.629 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.4 mt -62.45 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 123.708 0.63 . . . . 0.0 109.785 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -61.5 -45.67 93.26 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 121.589 0.709 . . . . 0.0 110.512 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.9 -36.98 81.14 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.9 tp10 -59.91 -41.2 91.17 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 72.9 t -58.7 -50.43 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 C-N-CA 124.247 1.019 . . . . 0.0 109.355 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.2 -40.64 94.47 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-O 121.957 0.884 . . . . 0.0 110.846 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.41 -42.99 82.33 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.501 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.0 pp -68.35 -34.61 76.4 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 70.0 mt-10 -62.45 -36.57 82.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -12.65 48.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.091 0.948 . . . . 0.0 111.099 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.45 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 5.9 m -91.02 -37.63 13.33 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.247 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.88 -49.9 0.3 Allowed Glycine 0 C--O 1.213 -1.193 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER 75.4 12.78 3.17 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 126.436 1.895 . . . . 0.0 112.25 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -63.28 -50.34 70.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.241 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.03 -26.74 3.37 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.002 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.82 -37.89 83.54 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HB2' HD13 ' A' ' 41' ' ' LEU . 26.7 tttm -67.1 -49.37 65.2 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.448 -176.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.96 93.03 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.5 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -69.24 -41.28 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.619 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.75 -38.08 89.77 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 122.92 0.488 . . . . 0.0 110.991 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 64.3 mt -64.62 -33.22 75.43 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.196 0.522 . . . . 0.0 110.427 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.98 -33.62 74.98 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 59' ' ' VAL . 31.1 tt0 -66.49 -38.79 88.03 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.372 176.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 3.1 pp -68.26 -31.11 70.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.398 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 m -64.37 -38.1 89.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.38 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -73.95 -37.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.955 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.744 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 35.6 p -61.97 -41.15 97.68 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.203 0.525 . . . . 0.0 112.236 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 64' ' ' ILE . 13.2 pt-20 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.0 96.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.252 14.2 p90 -76.21 -31.84 58.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 117.975 -1.49 . . . . 0.0 111.827 178.663 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -66.7 -37.32 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.75 -36.78 81.15 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 122.377 -0.202 . . . . 0.0 111.456 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.87 92.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 8.8 t -71.0 -35.31 72.03 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 65.7 mtp180 -69.5 -37.67 77.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.744 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.91 -26.63 70.28 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.622 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 81.5 t80 -70.3 -48.17 57.86 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -57.98 -38.54 76.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.974 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 88.2 mm-40 -64.79 -45.48 86.12 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.469 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 4.8 ptm180 -70.6 -32.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.378 0.608 . . . . 0.0 110.612 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.01 -29.55 66.64 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.152 0.981 . . . . 0.0 109.305 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -71.64 -15.13 62.23 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.493 0.663 . . . . 0.0 110.099 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 72' ' ' GLN . 94.4 mttt -103.48 -5.33 22.93 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.222 1.009 . . . . 0.0 110.362 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -52.08 -27.44 13.95 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.704 1.601 . . . . 0.0 114.401 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 m 72.53 -38.25 0.41 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.02 0.928 . . . . 0.0 110.607 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.76 68.71 9.48 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.291 1.043 . . . . 0.0 109.006 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -162.69 154.4 18.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.416 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.69 -173.61 2.63 Favored 'General case' 0 C--N 1.275 -2.654 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 4.3 pp -57.69 -29.48 64.7 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 123.416 0.447 . . . . 0.0 111.67 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.2 mm? -56.1 -48.22 76.57 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 121.838 0.827 . . . . 0.0 110.246 175.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -70.37 -45.07 66.8 Favored 'General case' 0 N--CA 1.418 -2.041 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.705 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 29.4 mtpp -56.08 -41.26 74.88 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.161 177.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.88 -34.26 77.72 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 123.769 0.668 . . . . 0.0 111.575 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.1 -40.79 62.47 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.013 0.925 . . . . 0.0 109.915 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 4.4 m-85 -74.04 -39.05 63.82 Favored 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.46 -34.86 79.28 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.64 -44.43 70.62 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.995 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.83 79.21 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.281 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 81.9 mt -60.14 -41.75 93.38 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 122.386 0.274 . . . . 0.0 110.763 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.95 -35.88 74.85 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 123.407 0.442 . . . . 0.0 110.622 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 54.7 m -65.41 -49.93 67.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-O 121.863 0.839 . . . . 0.0 109.186 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.71 -43.47 96.27 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 13.1 t70 -60.38 -44.83 95.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.532 0.333 . . . . 0.0 111.348 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 94' ' ' THR . 2.1 pp -63.63 -48.2 78.25 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.326 -175.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.02 -27.63 63.82 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.413 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.5 tt -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -69.5 -31.33 69.51 Favored 'General case' 0 N--CA 1.414 -2.252 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.575 176.152 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.38 -35.06 70.95 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.741 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 99' ' ' LEU . 85.8 mt -55.97 -50.37 70.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.531 0.732 . . . . 0.0 109.628 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -38.78 92.37 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.777 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.75 75.37 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.43 -36.27 73.89 Favored 'General case' 0 C--O 1.187 -2.231 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.005 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.27 -45.93 89.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 O-C-N 123.719 0.637 . . . . 0.0 110.765 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.02 -32.38 72.71 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 123.376 0.423 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -69.03 -44.2 73.19 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.235 0.614 . . . . 0.0 110.178 175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 105' ' ' LEU . 92.6 t -68.48 -39.84 81.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.379 0.609 . . . . 0.0 109.932 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.24 -45.63 87.41 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.35 -41.32 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.686 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.212 -0.901 0 C-N-CA 122.867 0.467 . . . . 0.0 112.104 -179.522 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -70.73 -32.48 69.68 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.38 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -58.61 -44.35 89.89 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.674 0.749 . . . . 0.0 110.643 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -76.14 -28.2 57.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.422 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -96.66 1.01 50.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.389 0.614 . . . . 0.0 112.062 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.74 -24.25 66.92 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.7 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.38 -41.87 93.26 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.043 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mp -71.65 -34.42 52.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.44 -41.25 89.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.28 -46.5 88.38 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.608 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -57.96 -45.28 86.92 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 123.191 0.307 . . . . 0.0 111.64 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 81.4 mt -61.78 -45.43 93.9 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.357 0.411 . . . . 0.0 110.72 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.256 4.4 pp -67.8 -35.26 78.34 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.854 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.05 -51.9 67.21 Favored 'General case' 0 CA--C 1.476 -1.876 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.7 mt -61.29 -40.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.326 -176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -61.58 -45.09 95.62 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.341 0.591 . . . . 0.0 109.819 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -65.0 -36.86 85.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.827 0.851 . . . . 0.0 110.38 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -33.91 68.7 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.149 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.0 t -59.64 -41.91 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.87 -42.58 94.72 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.205 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.84 -47.85 81.59 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.057 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.4 pp -65.23 -33.72 76.66 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.353 0.261 . . . . 0.0 111.103 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.18 -28.04 66.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 123.424 0.452 . . . . 0.0 111.697 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.84 -12.55 16.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.396 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.496 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 59.9 m -99.76 -67.72 0.84 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.194 -175.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.74 70.84 0.11 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -175.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -61.84 -33.13 73.62 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -31.38 70.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -168.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.07 -44.1 3.64 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.931 0.872 . . . . 0.0 110.284 -174.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.91 -35.55 74.67 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.411 -1.268 . . . . 0.0 113.087 -172.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -60.48 -40.79 92.55 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.548 -176.708 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.86 88.82 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.763 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -61.43 -50.27 73.48 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.536 0.684 . . . . 0.0 109.257 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.16 -33.55 73.61 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.717 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 30.0 mt -63.95 -33.67 76.25 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.153 175.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -69.13 -31.47 70.17 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.01 -29.11 68.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.356 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.295 3.0 pp -74.93 -30.83 61.36 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 118.27 -1.372 . . . . 0.0 110.408 173.405 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.621 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 14.7 m -63.36 -36.37 83.47 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 121.5 0.667 . . . . 0.0 110.554 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.8 -37.0 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.234 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.863 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 26.3 m -60.94 -31.06 70.61 Favored 'General case' 0 C--O 1.257 1.471 0 CA-C-O 122.896 1.331 . . . . 0.0 110.92 175.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 58' ' ' THR . 7.9 tp10 -67.66 -39.42 84.53 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 112.627 -2.078 . . . . 0.0 107.039 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.0 66.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.303 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 3.0 m-85 -65.22 -44.71 87.43 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 119.179 -1.008 . . . . 0.0 108.328 175.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.4 mm -61.92 -49.48 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.41 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -56.18 -45.91 79.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.155 0.284 . . . . 0.0 111.456 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.52 93.65 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 m -72.36 -32.81 66.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 42.1 mtp180 -69.64 -43.15 73.22 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.611 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.92 -28.52 72.85 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 56.7 t80 -66.38 -51.91 52.27 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.446 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.6 m-85 -61.57 -38.56 87.94 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.344 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.58 -50.3 70.44 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 119.105 -0.474 . . . . 0.0 112.175 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.14 -30.96 68.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.891 -1.523 . . . . 0.0 112.443 177.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 77' ' ' ARG . 15.4 mm-40 -64.79 -30.27 71.27 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 80' ' ' LEU . 7.6 tt -69.62 -16.45 63.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 122.057 0.932 . . . . 0.0 109.525 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -97.62 -5.98 34.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.425 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 41.0 mmt180 -62.96 -26.67 68.94 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m 75.16 -13.2 0.87 Allowed 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 124.288 1.035 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -31.14 65.71 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 85' ' ' LYS . 2.7 pt? -59.21 154.64 15.8 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.355 1.55 . . . . 0.0 110.927 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -117.04 177.31 4.76 Favored 'General case' 1 C--N 1.232 -4.508 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.97 -30.14 65.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 119.017 0.826 . . . . 0.0 109.802 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.04 -49.14 78.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.606 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 31.6 mm-40 -70.78 -39.4 73.22 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 80' ' ' LEU . 56.5 tttm -57.52 -38.73 75.14 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.001 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.56 -35.07 78.32 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.787 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -74.29 -32.34 62.86 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 123.628 0.771 . . . . 0.0 111.218 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.6 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.4 m-85 -68.28 -48.89 63.82 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.2 -31.64 72.6 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.958 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.15 79.34 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.09 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.38 79.6 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.548 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 84.7 mt -58.85 -40.19 83.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.58 -35.27 72.95 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.696 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -70.43 -45.37 66.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -65.98 -36.08 91.54 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.591 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.46 -42.44 95.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 111.43 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 84.4 mt -64.22 -49.64 71.17 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.456 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.46 -26.15 63.51 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.367 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 6.4 tt -63.54 -43.87 95.83 Favored 'General case' 0 C--O 1.253 1.249 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -69.55 -33.38 72.69 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.811 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.58 -31.17 61.97 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.816 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.88 -47.11 87.07 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 124.528 1.131 . . . . 0.0 108.039 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -69.22 -33.75 73.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.073 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.32 -43.57 66.79 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 121.046 0.45 . . . . 0.0 110.492 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.03 -33.75 74.13 Favored 'General case' 0 C--O 1.186 -2.273 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -58.67 -40.87 84.76 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 123.469 0.708 . . . . 0.0 110.08 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.3 -33.2 73.91 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.945 0.402 . . . . 0.0 110.183 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -69.14 -43.99 73.25 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.787 0.803 . . . . 0.0 109.336 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.553 HG12 ' HD3' ' A' ' 50' ' ' LYS . 54.6 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.675 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.99 -32.56 73.04 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.566 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.6 -31.01 61.9 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.439 -0.979 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.443 -179.097 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 p -74.29 -39.09 63.16 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.42 -35.67 80.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -76.84 -25.87 53.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -85.07 -10.57 56.75 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.609 0.719 . . . . 0.0 111.058 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -73.4 -17.82 61.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.13 -41.91 99.41 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.19 -34.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.9 -48.15 82.86 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.623 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -66.19 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.383 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -65.64 -41.71 92.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' HG22 ' A' ' 34' ' ' ILE . 5.9 tt -60.91 -42.88 98.92 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 123.746 0.818 . . . . 0.0 109.743 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.13 -35.55 74.16 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.794 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.9 t60 -71.96 -37.17 69.99 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.035 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.8 tt -69.14 -30.71 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.5 m -65.13 -37.5 87.65 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -64.61 -36.11 83.19 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.219 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 10.3 mm-40 -61.74 -36.12 80.07 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 t -63.77 -44.28 98.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.75 -39.95 95.53 Favored 'General case' 0 C--O 1.266 1.922 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.191 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.523 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 12.5 t70 -62.05 -45.15 94.81 Favored 'General case' 0 N--CA 1.408 -2.545 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.175 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 29.1 mt -65.3 -35.9 82.43 Favored 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.5 -29.49 67.89 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.839 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -106.19 -12.22 15.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.839 176.109 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -108.66 -80.97 0.57 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.895 0.878 . . . . 0.0 113.022 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.93 91.32 0.14 Allowed Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 3.5 p-10 -93.82 -11.08 32.0 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -57.88 -45.62 86.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.74 -29.31 3.43 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.327 1.061 . . . . 0.0 111.096 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 52' ' ' ARG . 36.9 mt-10 -61.57 -32.12 72.19 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 14.8 tptm -56.63 -49.3 75.39 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.721 0.772 . . . . 0.0 109.148 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.75 93.94 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.045 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 41.9 ttp180 -61.24 -43.98 98.0 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.878 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -63.59 -36.35 83.52 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.555 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 109' ' ' VAL . 82.7 mt -66.78 -34.67 78.34 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.938 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 67.7 ttt180 -61.35 -33.48 73.7 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.13 -37.51 81.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.216 0.532 . . . . 0.0 109.873 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.318 3.6 pp -73.37 -29.04 62.37 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.846 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.7 m -60.66 -42.14 96.44 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.99 -40.9 88.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.792 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 17.8 m -61.61 -46.01 91.65 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 64' ' ' ILE . 10.5 pt-20 -67.84 -29.27 68.37 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.159 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.02 88.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.792 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.261 12.3 p90 -76.46 -32.13 58.21 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.861 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.96 -38.78 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.03 -40.92 82.79 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.31 -34.92 89.97 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.372 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.572 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 64.8 m -68.4 -35.36 77.55 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -69.95 -38.32 76.1 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.264 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.545 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.14 -29.0 73.71 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 174.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 67' ' ' SER . 29.4 t80 -68.85 -45.1 71.95 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.388 1.075 . . . . 0.0 108.327 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.09 -39.52 93.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.413 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.55 -37.48 73.16 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.955 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 9.8 mpt_? -69.51 -44.31 71.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.261 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 20.9 mm-40 -61.1 -29.79 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.019 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.35 -17.63 64.83 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.346 0.593 . . . . 0.0 110.622 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -100.73 -5.09 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.141 0.576 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -53.67 -27.7 29.13 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.892 1.277 . . . . 0.0 113.86 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m 72.73 -37.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.521 1.128 . . . . 0.0 111.007 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -84.54 68.44 10.32 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 122.454 1.121 . . . . 0.0 109.172 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -163.22 159.12 22.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -131.0 -170.38 2.35 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 174.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 83' ' ' LEU . 3.7 pp -55.31 -30.08 59.5 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 123.655 0.597 . . . . 0.0 111.725 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.5 tm? -58.98 -47.44 85.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.5 0.666 . . . . 0.0 109.516 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 14.0 mm-40 -70.36 -40.63 73.92 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.978 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 10.0 mtpm? -56.34 -42.9 78.49 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -58.34 -33.5 69.6 Favored 'General case' 0 C--O 1.205 -1.267 0 O-C-N 124.358 1.036 . . . . 0.0 111.62 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -74.48 -39.91 62.17 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 123.716 0.806 . . . . 0.0 109.9 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.6 m-85 -70.57 -48.69 54.08 Favored 'General case' 0 CA--C 1.472 -2.023 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 8.1 pt-20 -67.43 -30.51 70.27 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.92 78.2 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 118.245 -1.382 . . . . 0.0 109.545 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.39 68.61 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.156 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.3 mt -65.84 -41.46 91.71 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.801 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.55 63.13 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.5 m -66.23 -41.85 89.46 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.053 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.93 -37.37 92.13 Favored Glycine 0 C--O 1.198 -2.122 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 18.0 t70 -61.64 -47.59 84.7 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 122.856 0.462 . . . . 0.0 112.193 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 94' ' ' THR . 3.2 pp -66.12 -45.36 81.38 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.082 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.14 -27.78 63.81 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.167 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.6 tt -69.52 -37.53 77.17 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -64.73 -33.09 75.15 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.023 174.068 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -70.52 -44.26 67.93 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.546 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.8 mt -55.99 -47.14 78.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.529 0.732 . . . . 0.0 109.517 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.79 -48.82 77.49 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.91 87.41 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 120.693 0.282 . . . . 0.0 110.63 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.96 -34.02 71.03 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.35 -43.59 92.79 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -68.03 -32.87 73.54 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.188 175.376 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -69.08 -42.23 76.49 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.065 0.936 . . . . 0.0 109.98 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.448 ' HB ' HD21 ' A' ' 54' ' ' LEU . 80.3 t -66.24 -44.72 91.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.694 177.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -61.32 -32.84 72.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 13.9 t70 -70.33 -33.88 72.0 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.846 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.432 -1.332 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.319 -176.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 121.26 0.553 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -65.62 -41.11 93.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.351 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.53 -38.0 89.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.403 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -66.79 -30.88 71.19 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.422 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 3.7 m-30 -84.3 -5.97 59.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.993 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.44 -19.58 60.92 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.92 -30.64 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.265 0.555 . . . . 0.0 110.462 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mm -78.34 -36.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.1 tp10 -59.89 -39.2 84.53 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.523 172.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -65.94 -39.69 90.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.563 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.7 m-85 -61.99 -41.6 98.22 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 121.013 0.435 . . . . 0.0 110.174 173.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.67 -35.32 77.62 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.262 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 51.7 mt -66.36 -45.54 79.8 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 42.4 t-80 -58.48 -45.92 87.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 113.803 -1.544 . . . . 0.0 110.79 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.728 ' HA ' HD11 ' A' ' 53' ' ' LEU . 88.0 mt -62.26 -46.46 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 O-C-N 123.398 0.436 . . . . 0.0 110.21 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -66.03 -37.74 86.63 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -63.53 -35.67 81.26 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.733 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 22.1 mm-40 -70.83 -38.92 73.27 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 123.244 0.34 . . . . 0.0 110.724 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.706 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 21.2 t -60.98 -41.22 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 121.628 0.728 . . . . 0.0 109.085 172.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.37 -43.15 91.65 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 122.137 0.97 . . . . 0.0 110.59 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . 14.5 t70 -69.21 -30.62 68.83 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.814 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.706 ' CD2' ' HA ' ' A' ' 38' ' ' VAL . 4.3 pp -69.92 -35.44 74.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.554 -0.717 . . . . 0.0 111.11 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 43.9 mt-10 -64.15 -31.03 72.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.094 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 40' ' ' ASP . 12.4 ptmm? -100.13 -22.49 15.16 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.3 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.1 m -153.25 -76.51 0.12 Allowed 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -164.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -93.43 64.38 1.91 Allowed Glycine 0 CA--C 1.489 -1.546 0 N-CA-C 115.061 0.785 . . . . 0.0 115.061 -166.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -103.74 18.59 21.59 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.51 -49.87 56.44 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.297 0.57 . . . . 0.0 111.475 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -150.27 -16.19 0.25 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.332 1.063 . . . . 0.0 109.889 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 22.1 mp0 -61.67 -35.86 79.2 Favored 'General case' 0 C--O 1.194 -1.834 0 C-N-CA 125.469 1.508 . . . . 0.0 112.54 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.639 ' HD3' HG12 ' A' ' 109' ' ' VAL . 1.8 tmmm? -63.19 -49.37 74.51 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.09 84.81 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.214 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.461 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 34' ' ' ILE . 40.9 tp -63.92 -37.58 87.93 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 87.4 mt -62.03 -33.29 74.09 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.16 0.505 . . . . 0.0 110.386 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mmt180 -68.39 -36.95 79.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.46 -37.63 86.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.263 4.1 pp -72.31 -29.97 64.35 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 119.964 -0.695 . . . . 0.0 110.772 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -61.62 -39.6 91.87 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-O 121.931 0.872 . . . . 0.0 108.789 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ARG . 44.1 t -67.42 -40.44 84.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.793 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.861 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 21.5 t -59.89 -48.75 80.41 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.235 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 64' ' ' ILE . 12.6 pt-20 -64.49 -29.99 71.02 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.63 76.95 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.861 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.273 5.9 p90 -76.56 -32.49 58.2 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.993 -178.098 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' CA ' ' A' ' 95' ' ' GLY . 14.8 tt -68.21 -34.51 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.308 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.01 -44.6 94.46 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.02 91.14 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.586 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -69.26 -43.63 73.55 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 110.012 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.98 -33.61 72.29 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.055 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.425 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.2 -30.18 77.18 Favored Glycine 0 N--CA 1.433 -1.502 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 173.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.38 -38.86 81.75 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 26.1 m-85 -63.52 -38.93 93.02 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.422 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -56.61 -43.11 79.84 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.45 0.469 . . . . 0.0 109.85 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.9 mpt_? -63.55 -41.96 98.41 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 6.3 mm-40 -64.47 -33.24 75.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.94 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.58 -16.09 63.75 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -103.47 -7.48 20.89 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.13 0.491 . . . . 0.0 111.229 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 74' ' ' GLU . 40.5 mmm-85 -62.03 -42.41 99.14 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m 77.79 -4.77 2.21 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.343 1.057 . . . . 0.0 109.072 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.24 -15.09 59.12 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.962 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -92.1 148.53 22.11 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.385 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -118.34 -162.43 0.89 Allowed 'General case' 1 C--N 1.232 -4.506 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 118.511 0.596 . . . . 0.0 110.472 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.1 -49.27 65.57 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.597 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 25.5 mp0 -70.44 -41.71 72.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.646 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -58.78 -37.77 77.04 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.122 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -65.52 -33.27 75.54 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -74.14 -38.59 63.7 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 124.441 1.096 . . . . 0.0 110.378 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.0 m-85 -70.59 -43.98 68.25 Favored 'General case' 0 CA--C 1.472 -2.041 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.75 -32.36 72.91 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.78 90.74 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.638 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.43 70.22 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.524 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.4 mt -58.63 -42.88 89.31 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 122.038 0.135 . . . . 0.0 110.688 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.01 -39.21 75.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.116 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.7 m -66.51 -43.66 84.69 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.985 0.898 . . . . 0.0 109.348 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.431 ' CA ' HD11 ' A' ' 64' ' ' ILE . . . -68.48 -41.32 85.17 Favored Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.337 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.32 -45.18 89.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.813 0.307 . . . . 0.0 110.481 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.69 -45.0 92.01 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.5 pp -71.4 -27.46 63.33 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.033 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.93 -38.56 79.6 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -66.11 -33.38 75.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.487 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.64 -35.93 67.89 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.833 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.9 mt -58.16 -48.16 81.14 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.301 0.64 . . . . 0.0 110.942 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 22.3 pttp -71.81 -34.71 69.58 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.352 -0.939 . . . . 0.0 112.608 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.55 71.92 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.69 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.83 -38.31 73.21 Favored 'General case' 0 C--O 1.189 -2.094 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.099 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 21.0 pt20 -65.13 -31.76 73.11 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.153 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -68.31 -35.33 77.65 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.345 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -67.62 -45.3 75.8 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 109.687 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.639 HG12 ' HD3' ' A' ' 50' ' ' LYS . 69.2 t -67.17 -38.05 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 C-N-CA 123.914 0.886 . . . . 0.0 111.363 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -60.3 -39.85 88.41 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.03 -30.34 65.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.135 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.103 -178.711 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 p -65.06 -30.67 71.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.059 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.613 ' HA ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm0? -62.15 -37.48 85.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.168 178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -80.22 -25.02 39.82 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.352 0.596 . . . . 0.0 110.378 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' A' ' 27' ' ' ILE . 9.4 m-30 -97.31 12.75 31.96 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 22' ' ' GLN . 32.8 m170 -61.8 -39.76 92.85 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.328 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.06 -35.44 78.65 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.116 0.484 . . . . 0.0 110.742 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 64' ' ' ILE . 3.3 mp -75.5 -35.04 31.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 109.461 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.7 tt0 -66.55 -35.06 79.31 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 98.8 mttt -61.77 -41.32 97.55 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.35 -42.51 87.07 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 123.377 0.423 . . . . 0.0 111.097 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 65.8 tp -58.1 -45.75 86.68 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.021 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 27.4 mt -65.93 -42.42 90.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -57.68 -44.33 85.71 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.595 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 90.3 mt -63.41 -45.92 96.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -63.27 -42.54 99.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 121.475 0.655 . . . . 0.0 110.931 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.246 0.546 . . . . 0.0 110.153 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 53' ' ' LEU . 5.9 tp10 -63.31 -31.76 73.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.058 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' ILE . 82.7 t -62.48 -45.83 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.834 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.92 -44.33 93.25 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 121.974 0.892 . . . . 0.0 109.919 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.66 -47.3 85.97 Favored 'General case' 0 C--O 1.191 -1.988 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.134 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.3 pp -64.38 -35.19 80.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.3 mt-10 -69.68 -25.41 63.88 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . 0.358 0.2 OUTLIER -99.21 -12.29 20.55 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 118.469 -1.292 . . . . 0.0 112.769 175.419 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 14.6 m -88.28 -31.18 19.13 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 125.289 1.435 . . . . 0.0 112.17 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.13 -62.62 0.26 Allowed Glycine 0 C--O 1.217 -0.964 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.131 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.272 2.5 p-10 67.58 29.08 7.28 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.443 1.897 . . . . 0.0 113.274 174.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' H ' ' HD3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -68.4 -49.87 56.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.83 0.824 . . . . 0.0 109.465 178.233 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.8 -14.49 4.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.596 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.79 -35.03 75.43 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 124.074 0.95 . . . . 0.0 111.582 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 109' ' ' VAL . 50.7 tptt -62.29 -50.39 71.86 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.508 0.67 . . . . 0.0 109.223 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.03 76.15 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.684 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -61.37 -39.54 91.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.516 0.726 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 37' ' ' GLU . 42.7 tp -69.59 -36.54 76.33 Favored 'General case' 0 N--CA 1.42 -1.96 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.771 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 71.8 mt -62.3 -33.88 75.53 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.189 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -69.35 -33.8 73.63 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.19 -33.0 74.96 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.79 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.275 2.2 pp -74.57 -29.36 61.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.171 177.435 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 m -61.36 -35.97 78.92 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.01 -38.93 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.193 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.774 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 31.5 m -61.43 -48.47 81.03 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.489 0.662 . . . . 0.0 111.837 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.6 -29.15 69.71 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.417 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.69 96.82 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.047 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.774 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.336 14.9 p90 -72.47 -31.12 65.16 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.419 -1.312 . . . . 0.0 112.018 176.839 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 98' ' ' LEU . 10.4 mm -59.74 -43.63 91.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.687 171.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.12 -40.34 95.58 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.963 0.411 . . . . 0.0 109.995 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.71 -47.81 89.36 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.252 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -70.59 -33.18 70.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 122.741 -0.27 . . . . 0.0 110.834 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.4 mtp180 -66.53 -46.98 74.33 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.855 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.01 70.35 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.44 -50.03 55.62 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.5 m-85 -65.19 -38.43 90.46 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.249 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.37 -33.68 76.42 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -64.5 -42.58 95.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.61 -30.2 71.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.221 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.37 -16.79 64.35 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.834 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.54 -6.62 13.94 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.19 -29.0 70.43 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.684 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.1 m 80.11 -22.01 0.3 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.419 1.088 . . . . 0.0 110.141 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.16 71.42 10.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.677 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.75 152.63 19.85 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -116.33 172.62 7.08 Favored 'General case' 0 C--N 1.251 -3.693 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.06 -29.84 61.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.708 0.685 . . . . 0.0 109.845 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -50.14 74.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.482 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 41.0 mt-10 -72.34 -40.1 67.66 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.83 -176.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.16 -40.12 73.4 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.62 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.41 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 61.3 t80 -63.96 -32.79 74.45 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.78 0.675 . . . . 0.0 111.589 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.25 -37.7 63.68 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 123.597 0.759 . . . . 0.0 109.178 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.716 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.8 m-85 -70.56 -49.31 49.38 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.319 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.1 pt-20 -66.11 -31.73 72.76 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.71 72.97 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 117.695 -1.602 . . . . 0.0 110.467 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.53 72.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 88.9 mt -59.13 -40.25 84.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.757 0.313 . . . . 0.0 110.162 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.34 -33.35 65.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.02 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.6 m -71.8 -40.66 69.02 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.43 89.93 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.241 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.488 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 20.2 t70 -63.47 -49.07 75.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 120.752 0.311 . . . . 0.0 110.624 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 82.1 mt -60.21 -46.96 87.97 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 64' ' ' ILE . 3.5 pp -71.16 -27.56 63.63 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.907 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.53 -38.76 84.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 1.2 mptm? -69.34 -31.12 69.35 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.728 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 31' ' ' LEU . 13.9 t70 -69.36 -40.43 77.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 105' ' ' LEU . 97.1 mt -55.99 -48.57 75.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.242 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.15 -39.67 87.18 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.088 0.955 . . . . 0.0 111.154 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.4 -41.46 72.96 Favored 'General case' 0 C--O 1.255 1.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.358 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -70.45 -33.28 71.1 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 23.6 tt0 -57.9 -46.59 84.69 Favored 'General case' 0 C--O 1.196 -1.712 0 C-N-CA 123.39 0.676 . . . . 0.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.616 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 4.0 mptp? -68.17 -33.23 74.06 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.084 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -63.08 -50.58 70.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 98.6 t -66.74 -44.12 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.658 -176.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.616 ' HG2' ' HA ' ' A' ' 107' ' ' LYS . 4.0 pt20 -65.38 -31.75 73.02 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.105 0.479 . . . . 0.0 111.637 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -77.74 -27.8 50.54 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.661 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 CA--C 1.551 0.981 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -176.18 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 121.723 0.773 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -28.61 65.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.978 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.84 -40.55 96.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.21 -40.8 97.31 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -103.91 18.42 22.03 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.09 -26.02 68.04 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.707 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 10.2 pt-20 -62.07 -41.11 97.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 110.628 175.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.453 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 12.7 mm -77.42 -35.8 22.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.505 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.06 -36.6 83.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.618 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 15.4 m-85 -65.47 -45.61 83.03 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.71 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 85.8 mt -58.19 -45.93 86.7 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.278 0.362 . . . . 0.0 111.005 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.23 -35.8 80.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.367 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 30.9 t60 -67.84 -45.14 75.47 Favored 'General case' 0 C--O 1.208 -1.084 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.52 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.7 mt -63.25 -36.58 76.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 122.931 0.492 . . . . 0.0 111.416 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -64.67 -39.62 94.0 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.45 -31.48 71.69 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.513 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.0 mm-40 -65.17 -31.52 72.75 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.806 0.442 . . . . 0.0 110.524 173.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.5 t -65.95 -37.67 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -68.36 -35.2 77.38 Favored 'General case' 0 C--O 1.257 1.493 0 CA-C-O 121.704 0.764 . . . . 0.0 110.225 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.83 -42.38 98.96 Favored 'General case' 0 C--O 1.188 -2.16 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 3.9 pp -68.59 -33.57 74.28 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 121.158 0.504 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.3 -24.69 67.74 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.065 0.46 . . . . 0.0 110.718 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.24 16.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.209 -0.932 . . . . 0.0 112.744 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -109.94 -41.01 4.6 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.213 1.005 . . . . 0.0 111.248 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.62 -78.82 0.33 Allowed Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 -175.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.6 m120 50.51 49.03 21.55 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.571 1.148 . . . . 0.0 111.88 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.1 -35.57 79.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.37 -25.51 11.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.522 0.677 . . . . 0.0 110.005 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' OE2' ' HD2' ' A' ' 52' ' ' ARG . 5.5 tp10 -67.8 -35.51 78.78 Favored 'General case' 0 C--O 1.2 -1.517 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.222 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.0 ttpp -55.52 -49.52 72.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.006 0.431 . . . . 0.0 111.197 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.02 79.87 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.022 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.619 ' HD2' ' OE2' ' A' ' 49' ' ' GLU . 44.4 ttm105 -67.15 -40.03 86.63 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.308 0.575 . . . . 0.0 109.472 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.55 -36.79 76.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.311 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.6 mt -64.62 -33.43 75.92 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' THR . 29.0 mmm180 -69.69 -27.87 65.37 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.496 0.665 . . . . 0.0 109.626 176.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 59' ' ' VAL . 38.3 tt0 -70.15 -33.36 71.69 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.398 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.279 3.8 pp -70.81 -30.06 66.4 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 118.662 -1.215 . . . . 0.0 109.709 174.172 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.6 m -61.53 -35.27 77.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.703 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -71.79 -39.54 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 118.297 -1.361 . . . . 0.0 110.256 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.791 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 p -62.14 -29.22 70.19 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.89 1.328 . . . . 0.0 110.798 175.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HB3' ' O ' ' A' ' 58' ' ' THR . 21.1 tt0 -66.03 -39.39 90.15 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 112.569 -2.105 . . . . 0.0 108.193 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.01 85.19 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.936 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.8 m-85 -61.95 -41.71 98.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.31 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 8.0 mm -57.61 -49.52 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.483 175.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.73 -40.98 92.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.994 -174.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.73 96.66 Favored Glycine 0 C--O 1.243 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 50.8 m -69.59 -31.48 69.66 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 115.131 -0.535 . . . . 0.0 110.258 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 50.5 mtm180 -67.55 -38.13 83.7 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.465 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.37 -28.49 73.75 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 174.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . 63.3 t80 -64.65 -46.2 83.51 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -64.67 -39.18 93.22 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.435 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -55.29 -41.07 71.81 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.265 0.353 . . . . 0.0 110.467 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.4 mpt_? -68.32 -37.01 80.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.88 -30.63 71.7 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.261 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.53 -16.47 63.44 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.169 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.77 -6.66 23.38 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.361 0.601 . . . . 0.0 109.715 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' NE ' ' HB2' ' A' ' 79' ' ' ASP . 76.8 ttt180 -65.1 -32.56 74.32 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.094 0.957 . . . . 0.0 111.785 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.4 m 79.03 -26.17 0.18 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.088 0.955 . . . . 0.0 110.655 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HB2' ' NE ' ' A' ' 77' ' ' ARG . 12.9 m-20 -82.58 59.02 4.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.177 0.513 . . . . 0.0 110.121 175.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -156.77 150.74 24.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -128.22 -167.94 1.83 Allowed 'General case' 0 C--N 1.264 -3.127 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.77 -31.27 68.21 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-N 118.783 0.72 . . . . 0.0 111.404 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.75 -49.76 67.26 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 121.586 0.708 . . . . 0.0 112.223 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.79 -39.36 69.95 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.305 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 4.2 tmmm? -63.74 -36.67 84.63 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.565 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -65.28 -33.7 76.6 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.19 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -75.38 -34.04 61.07 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 85' ' ' LYS . 8.9 m-85 -71.7 -39.01 70.48 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -65.45 -33.47 76.01 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.59 65.99 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.214 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.34 -42.46 88.1 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.47 -40.69 87.75 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 122.6 0.36 . . . . 0.0 110.999 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.43 -28.19 63.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.197 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -70.18 -49.65 48.21 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.44 -42.88 88.71 Favored Glycine 0 N--CA 1.422 -2.234 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.155 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.26 -41.12 94.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.917 0.358 . . . . 0.0 111.906 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.44 -43.93 76.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.805 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.48 -26.91 63.83 Favored 'General case' 0 C--O 1.194 -1.841 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.053 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.93 -41.3 97.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -70.38 -31.69 69.04 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 114.164 -1.38 . . . . 0.0 109.935 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.26 -33.52 63.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.447 0.641 . . . . 0.0 110.087 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 105' ' ' LEU . 6.0 tt -60.4 -49.54 77.16 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.456 1.502 . . . . 0.0 109.505 176.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 59.5 mtpt -69.39 -28.25 66.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.35 69.49 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.075 0.464 . . . . 0.0 110.521 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.25 -34.31 72.68 Favored 'General case' 0 C--O 1.191 -1.981 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -58.99 -44.59 91.64 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.179 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.7 mmtt -66.93 -34.31 77.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -67.5 -46.06 74.0 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 105' ' ' LEU . 49.1 t -71.62 -38.64 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.074 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.17 -44.59 92.15 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.964 0.888 . . . . 0.0 109.573 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.72 -43.87 65.14 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 114.011 -1.45 . . . . 0.0 109.276 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 125.765 1.626 . . . . 0.0 114.578 169.464 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 C--O 1.244 0.805 0 CA-C-O 121.502 0.668 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -51.46 67.25 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.099 -176.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.81 -34.65 77.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.198 0.523 . . . . 0.0 110.956 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -61.84 -30.79 71.08 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.381 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -104.24 -6.32 21.05 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.79 -1.164 . . . . 0.0 112.637 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 30.4 t-80 -61.84 -38.33 87.82 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.44 -29.97 70.9 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.896 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.52 -34.46 14.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 44.9 tt0 -60.7 -46.66 89.52 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.698 0.761 . . . . 0.0 109.656 175.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 8.4 ptmm? -67.03 -35.46 79.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.134 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 34' ' ' ILE . 39.8 t80 -58.85 -42.45 89.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 6.5 tt -58.09 -47.19 83.96 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 124.452 1.101 . . . . 0.0 109.918 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.2 pp -66.77 -34.78 78.59 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.428 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -60.26 -36.16 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.14 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 72.1 mt -65.14 -45.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -60.54 -45.28 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-O 121.042 0.449 . . . . 0.0 110.066 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -63.96 -31.83 73.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.149 0.5 . . . . 0.0 111.394 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.42 -32.19 69.69 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.725 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' ILE . 94.8 t -63.12 -42.54 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.07 -34.54 78.31 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.455 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.33 -47.69 59.9 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.116 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.5 pp -66.95 -33.86 76.5 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.083 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.8 tm-20 -59.79 -42.97 94.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.643 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -12.34 52.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.166 0.984 . . . . 0.0 110.932 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.7 m -91.55 -47.3 7.49 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.099 -1.41 . . . . 0.0 113.575 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.61 -28.63 0.18 Allowed Glycine 0 C--O 1.218 -0.876 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.716 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 58.56 26.91 14.95 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 125.744 1.617 . . . . 0.0 111.941 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -56.18 -50.69 70.5 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.903 -172.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.56 -15.45 0.17 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.913 0.863 . . . . 0.0 110.616 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -35.77 76.19 Favored 'General case' 0 C--O 1.186 -2.274 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.346 -173.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 21.6 tttm -62.7 -49.16 76.19 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.99 87.05 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.642 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -63.11 -44.34 95.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.194 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.43 -34.96 79.12 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.298 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 69.7 mt -65.39 -34.55 78.56 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.424 0.63 . . . . 0.0 109.541 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.6 mmt180 -70.36 -26.4 63.71 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.393 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.13 -32.57 67.06 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.166 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.2 pp -72.45 -30.94 65.03 Favored 'General case' 0 C--O 1.206 -1.226 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.627 174.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.7 m -66.78 -35.49 80.2 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.607 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ARG . 87.1 t -60.5 -38.83 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.855 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.5 m -64.65 -42.97 95.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.537 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 42.6 mt-10 -59.13 -38.03 78.65 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.12 174.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.82 82.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.742 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.855 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.323 6.9 p90 -73.01 -31.07 64.24 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 118.147 -1.421 . . . . 0.0 111.986 177.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 18.7 mm -58.48 -50.24 79.49 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.188 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.11 -44.86 94.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.911 0.484 . . . . 0.0 111.7 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.43 95.72 Favored Glycine 0 C--O 1.24 0.471 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.649 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 m -70.77 -31.62 68.47 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.554 0.693 . . . . 0.0 109.184 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 58.8 ttt180 -66.59 -46.37 76.18 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.453 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -68.72 -23.38 75.59 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.28 -46.63 60.42 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 26.9 m-85 -65.47 -39.95 92.56 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.78 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 6.5 tp-100 -54.34 -43.28 71.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.879 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.2 mpt_? -65.32 -37.8 88.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 32.9 mt-10 -64.4 -36.19 83.36 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 176.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.66 -20.74 66.41 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.167 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 74.6 mmtt -82.52 -17.2 45.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 10.5 mmm180 -65.92 -55.19 18.17 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m 73.11 -4.2 2.24 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.576 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.71 -22.4 66.97 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.059 0.933 . . . . 0.0 109.996 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 4.8 mp -43.39 171.12 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 128.838 2.855 . . . . 0.0 113.908 172.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.48 170.44 14.21 Favored 'General case' 1 C--N 1.236 -4.35 0 CA-C-N 110.11 -3.223 . . . . 0.0 104.489 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.62 -31.02 61.92 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.553 1.141 . . . . 0.0 110.679 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.29 -49.09 62.89 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.15 77.78 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.441 -177.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 71.4 t80 -64.3 -35.27 80.32 Favored 'General case' 0 C--O 1.2 -1.53 0 CA-C-O 120.867 0.365 . . . . 0.0 111.671 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -75.0 -32.62 61.7 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 123.512 0.725 . . . . 0.0 110.731 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.0 m-85 -73.76 -46.2 47.14 Favored 'General case' 0 CA--C 1.46 -2.49 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.4 pt-20 -67.51 -30.95 70.76 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.06 90.69 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.314 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -71.49 -37.19 71.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.421 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -63.14 -35.59 80.8 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.82 -39.2 73.18 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.171 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.1 m -71.79 -41.64 68.08 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-O 121.66 0.743 . . . . 0.0 109.111 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 -41.14 96.16 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.189 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 25.6 t70 -64.21 -42.61 96.54 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 88.4 mt -64.39 -47.4 79.37 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.352 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -71.51 -27.94 63.56 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.34 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.99 -45.46 77.52 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 11.1 ptmm? -66.65 -32.8 74.35 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.52 177.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.38 -30.89 60.31 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 119.335 -0.946 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.3 mt -60.11 -50.54 73.3 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.16 0.584 . . . . 0.0 109.859 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 16.5 ptmt -71.64 -27.41 63.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.403 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.16 71.04 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 121.224 0.535 . . . . 0.0 110.148 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.04 -34.33 73.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -60.08 -37.69 80.69 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.1 mmtt -65.18 -35.06 79.89 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.4 -46.82 68.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 121.358 0.599 . . . . 0.0 110.046 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 54' ' ' LEU . 60.8 t -65.02 -39.29 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.21 -43.25 99.26 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.992 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.09 -35.63 81.36 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.216 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 123.539 0.735 . . . . 0.0 111.566 -177.242 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.812 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 p -65.1 -36.8 85.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -68.72 -34.75 76.16 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.0 tpp180 -63.93 -32.41 73.93 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.731 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 21.4 m-85 -113.23 36.28 3.61 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.66 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -77.57 -38.34 48.6 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.777 0.798 . . . . 0.0 109.679 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.88 -34.54 73.69 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.906 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.87 -40.79 86.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -60.28 -43.14 96.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.751 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.42 -44.57 96.1 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.63 -48.3 82.4 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 123.052 0.22 . . . . 0.0 111.453 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.7 -45.22 89.99 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 123.052 0.22 . . . . 0.0 110.467 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.85 -35.66 74.9 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.294 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 43.9 t-80 -60.5 -50.75 72.31 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 57' ' ' LEU . 96.5 mt -63.79 -45.39 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.741 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 20.9 m -63.32 -42.41 99.0 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-O 121.522 0.677 . . . . 0.0 110.065 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.567 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 13.7 t60 -70.62 -31.56 68.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.483 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 42.4 mm-40 -65.92 -31.58 72.6 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.564 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 34' ' ' ILE . 63.4 t -60.34 -40.61 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 53.1 m-20 -61.47 -41.77 97.75 Favored 'General case' 0 C--O 1.259 1.577 0 CA-C-O 122.176 0.988 . . . . 0.0 109.762 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.32 -47.64 67.01 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.237 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.2 pp -68.95 -33.83 74.36 Favored 'General case' 0 N--CA 1.424 -1.764 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.098 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.56 -33.87 76.93 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -11.82 49.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.154 0.978 . . . . 0.0 110.562 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 6.3 m -93.06 -47.27 7.06 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.523 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -27.07 2.86 Favored Glycine 0 C--N 1.308 -0.978 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.37 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 56.4 37.38 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.018 1.727 . . . . 0.0 113.302 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -56.08 -24.27 39.0 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' H ' ' H ' ' A' ' 49' ' ' GLU . 35.7 t70 -156.4 -21.13 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.614 0.721 . . . . 0.0 110.581 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' A' ' 48' ' ' ASP . 26.6 mm-40 -61.4 -37.43 83.42 Favored 'General case' 0 C--O 1.193 -1.883 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.027 -173.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.9 ttpp -68.36 -50.67 51.5 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.369 -0.932 . . . . 0.0 112.764 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.17 81.0 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.762 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 75.7 ttt180 -67.29 -40.11 86.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 34' ' ' ILE . 41.4 tp -65.02 -35.63 81.81 Favored 'General case' 0 N--CA 1.424 -1.727 0 C-N-CA 123.131 0.572 . . . . 0.0 110.975 175.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 89.9 mt -63.13 -32.64 74.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.819 0.818 . . . . 0.0 109.843 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 59' ' ' VAL . 43.7 ttm180 -68.41 -35.06 77.1 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.669 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.6 -40.07 95.75 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.5 pp -71.0 -31.78 68.4 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.668 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.7 m -62.43 -42.41 99.43 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.997 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.6 t -66.57 -41.72 88.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.822 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.4 m -60.48 -40.26 90.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.029 0.919 . . . . 0.0 110.979 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HG3' ' HE3' ' A' ' 103' ' ' LYS . 2.0 tm-20 -66.1 -32.1 73.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.53 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.43 70.64 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.497 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.822 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.367 6.3 p90 -76.52 -30.7 57.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 118.63 -1.228 . . . . 0.0 112.807 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -66.63 -34.76 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.267 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.74 -38.67 89.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.306 0.574 . . . . 0.0 109.459 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.31 90.2 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.95 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -70.44 -32.0 69.4 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.492 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -67.03 -43.27 83.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.077 0.465 . . . . 0.0 109.904 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.95 -23.98 69.79 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.29 -48.21 57.69 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 56.8 m-85 -65.45 -39.36 91.94 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.209 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.0 -42.0 79.48 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.853 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.66 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 10.6 mpt_? -65.8 -39.01 90.5 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.673 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.99 -33.56 74.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.817 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.39 -19.67 65.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.925 0.393 . . . . 0.0 111.329 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -108.14 -5.84 16.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.28 0.562 . . . . 0.0 110.495 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -67.93 -24.41 65.19 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.389 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.5 m 77.46 -31.23 0.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.36 1.064 . . . . 0.0 110.349 -172.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.59 68.06 3.61 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.402 0.62 . . . . 0.0 111.11 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.6 pt? -160.58 146.53 15.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.954 175.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -108.19 171.59 7.32 Favored 'General case' 0 C--N 1.251 -3.678 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.3 pp -53.89 -30.23 45.1 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 118.398 0.545 . . . . 0.0 110.559 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 82' ' ' LEU 0.266 13.9 tp -61.28 -49.3 77.6 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.991 0.901 . . . . 0.0 111.705 177.798 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 40.0 mt-10 -71.24 -40.46 71.03 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.439 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.02 -37.89 75.16 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.64 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.51 -39.76 92.18 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.555 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.51 -35.04 63.18 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.633 0.773 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 7.9 m-85 -69.47 -44.96 70.12 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.04 -32.18 72.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.47 79.8 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.479 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -68.85 -43.87 74.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.024 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 93.1 mt -56.52 -41.64 77.07 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.127 0.171 . . . . 0.0 110.699 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' HD23 ' A' ' 97' ' ' LEU . . . -71.22 -33.3 69.76 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.1 m -69.06 -48.68 62.16 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -64.89 -45.41 92.57 Favored Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.4 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.04 -44.77 94.42 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 93' ' ' ALA . 1.5 pp -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.039 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.2 -26.77 63.09 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.558 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -68.81 -41.78 78.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -68.49 -32.85 73.13 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.291 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.4 -37.28 74.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.411 0.624 . . . . 0.0 110.168 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 105' ' ' LEU . 32.2 tp -60.65 -48.63 80.91 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 125.77 1.628 . . . . 0.0 109.237 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.47 ' HE3' ' HG3' ' A' ' 61' ' ' GLU . 30.3 mmtp -69.2 -33.37 73.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.4 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.99 -39.08 83.32 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.436 0.636 . . . . 0.0 109.518 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.3 -33.23 71.29 Favored 'General case' 0 C--O 1.181 -2.532 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -58.22 -47.69 82.7 Favored 'General case' 0 C--O 1.195 -1.813 0 CA-C-O 119.093 -0.479 . . . . 0.0 111.481 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.04 -32.46 73.95 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.383 0.611 . . . . 0.0 110.772 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 63.2 ttt180 -66.55 -50.02 64.54 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.487 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' SER . 66.2 t -70.74 -37.51 69.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 121.627 0.727 . . . . 0.0 111.727 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -55.88 -38.54 70.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.923 0.889 . . . . 0.0 109.312 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.54 -48.76 10.63 Favored 'General case' 0 N--CA 1.432 -1.346 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.103 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 109' ' ' VAL . 12.6 t . . . . . 0 N--CA 1.48 1.06 0 C-N-CA 126.404 1.882 . . . . 0.0 114.473 172.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 120.785 0.326 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -66.74 -43.28 84.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -36.35 83.62 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.563 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.66 -31.0 71.4 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.802 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -85.95 -8.62 57.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 0.0 111.318 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.98 -22.3 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 20.1 mm-40 -68.24 -31.7 71.37 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.881 0.848 . . . . 0.0 109.143 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 mm -80.52 -34.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.48 -44.77 92.95 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.468 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 62.8 pttt -66.34 -36.96 84.24 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.082 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' O ' HG13 ' A' ' 34' ' ' ILE . 5.8 m-85 -59.38 -43.46 92.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.398 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.91 -47.19 83.54 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 122.942 0.497 . . . . 0.0 110.596 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.78 -35.82 75.21 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.343 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.3 t60 -60.36 -47.02 87.85 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.478 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.1 mt -62.34 -46.21 96.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 123.178 0.299 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 m -60.7 -37.53 81.97 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 121.347 0.594 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -67.45 -38.47 84.54 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 18.6 mm-40 -63.91 -32.94 74.65 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 34' ' ' ILE . 42.0 t -64.67 -46.39 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.09 -39.0 92.56 Favored 'General case' 0 C--O 1.27 2.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.476 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 11.2 t70 -63.96 -47.29 80.99 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.212 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.4 pp -67.54 -34.69 77.59 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 5.2 mm-40 -61.55 -27.56 68.71 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -102.24 -28.58 12.2 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 116.452 -2.099 . . . . 0.0 110.673 174.73 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -69.73 -35.7 75.22 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.999 0.92 . . . . 0.0 113.039 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.6 -56.57 0.18 Allowed Glycine 0 C--N 1.313 -0.709 0 C-N-CA 119.062 -1.542 . . . . 0.0 114.366 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 64.6 t30 74.9 29.08 1.04 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.894 1.278 . . . . 0.0 108.319 -176.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.85 -50.61 61.98 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.667 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -152.1 13.42 0.59 Allowed 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 123.257 1.503 . . . . 0.0 107.215 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -72.13 -35.64 69.16 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 111.767 -2.469 . . . . 0.0 110.725 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 5.6 tptm -63.59 -49.08 74.76 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.81 86.28 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.73 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -59.78 -45.63 91.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.873 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.8 tp -70.07 -32.98 71.34 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-O 121.321 0.582 . . . . 0.0 111.648 -177.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 51.4 mt -67.53 -32.41 73.18 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.962 0.886 . . . . 0.0 110.155 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -67.76 -36.64 80.88 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.1 tp10 -62.54 -40.67 97.55 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.623 176.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -70.38 -30.1 66.92 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.515 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 m -62.06 -36.0 80.31 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -38.42 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -59.88 -42.51 93.92 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.603 0.716 . . . . 0.0 110.36 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 6.9 tp10 -59.17 -40.07 84.47 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.028 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.13 99.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.186 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.857 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.378 7.1 p90 -75.16 -31.63 61.07 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.415 -1.314 . . . . 0.0 113.154 177.011 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -61.67 -42.34 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.218 171.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 54.8 mt-10 -55.34 -45.92 76.4 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.347 0.404 . . . . 0.0 110.469 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.14 96.48 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.612 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 -39.9 68.42 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -69.6 -44.05 71.52 Favored 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.663 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -61.33 -28.59 69.59 Favored Glycine 0 N--CA 1.413 -2.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.373 177.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.3 t80 -67.86 -51.75 44.7 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.1 m-85 -61.32 -38.81 88.23 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.597 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.32 -34.68 75.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.3 mtp180 -69.15 -36.85 77.86 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.468 0.651 . . . . 0.0 109.444 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 13.6 mm-40 -65.66 -30.17 70.83 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.855 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.57 -15.35 63.2 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.224 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 21.1 ptmt -109.08 -5.57 15.95 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 74' ' ' GLU . 11.2 mtm180 -62.16 -18.81 62.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m 73.33 -33.18 0.26 Allowed 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 124.446 1.098 . . . . 0.0 111.217 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 77' ' ' ARG . 18.7 t70 -55.15 -34.3 63.68 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 126.741 2.016 . . . . 0.0 112.914 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -72.02 156.98 38.63 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.753 1.264 . . . . 0.0 110.193 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' ' HG ' ' A' ' 82' ' ' LEU . 13.8 t70 -126.18 -173.7 2.92 Favored 'General case' 1 C--N 1.239 -4.201 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 174.4 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.427 ' HG ' ' OD1' ' A' ' 81' ' ' ASP . 3.3 pp -57.93 -29.16 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -60.98 -50.73 72.2 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 123.519 0.512 . . . . 0.0 111.604 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 45.9 mt-10 -72.46 -41.33 66.2 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.74 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.38 -36.54 73.68 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.924 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 87.1 t80 -64.71 -33.08 75.12 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 121.927 0.87 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -74.44 -38.02 63.12 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 124.989 1.316 . . . . 0.0 108.997 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.3 m-85 -72.65 -44.78 61.42 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.318 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 13.3 pt-20 -65.91 -32.3 73.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.46 80.41 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.58 74.17 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.492 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.9 mt -59.63 -40.58 88.09 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 122.386 0.274 . . . . 0.0 110.391 178.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.71 -31.71 68.67 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.37 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -68.98 -45.46 70.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.79 -39.64 89.87 Favored Glycine 0 N--CA 1.423 -2.232 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.662 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.12 -38.45 78.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 117.277 0.539 . . . . 0.0 110.925 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.2 mt -69.32 -43.38 73.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.955 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.97 -31.17 67.64 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.339 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.1 tt -65.11 -39.83 93.67 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -32.02 66.49 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.14 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.5 -31.2 62.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 118.018 -1.473 . . . . 0.0 108.766 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 105' ' ' LEU . 3.1 tm? -59.86 -50.02 75.44 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.024 1.73 . . . . 0.0 108.869 177.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 34.2 mmtp -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.53 70.83 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -70.57 -35.38 73.03 Favored 'General case' 0 C--O 1.187 -2.234 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 29.7 tt0 -65.62 -37.06 85.51 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 123.327 0.392 . . . . 0.0 110.141 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.0 mmtt -66.62 -35.33 79.93 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 105' ' ' LEU . 77.0 mtm180 -67.91 -39.75 83.53 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 54' ' ' LEU . 71.8 t -65.66 -40.57 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.053 0.454 . . . . 0.0 110.948 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 28.0 mm-40 -63.08 -40.6 98.14 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.24 -16.28 60.96 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.991 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.319 -0.722 0 CA-C-O 121.331 0.586 . . . . 0.0 109.548 175.618 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C--O 1.241 0.646 0 CA-C-O 121.228 0.537 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 p -71.77 -34.9 69.84 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.05 -38.14 78.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.094 0.958 . . . . 0.0 109.697 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 1.3 tpm_? -62.69 -48.25 80.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.471 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -97.75 12.3 34.27 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.143 -1.023 . . . . 0.0 112.451 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.435 ' O ' ' HB3' ' A' ' 28' ' ' GLU . 55.3 t60 -68.75 -33.29 73.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.075 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 36.4 mt-10 -62.69 -42.33 99.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.783 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 2.6 mp -69.55 -34.07 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.596 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' HIS . 18.8 tt0 -58.65 -45.63 88.9 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.436 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.08 -38.81 89.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.288 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 17.3 m-85 -58.45 -48.31 81.16 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 175.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 75.2 mt -61.71 -42.65 99.23 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -70.05 -38.45 75.81 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.961 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 32' ' ' LEU . 8.7 t-160 -63.67 -41.68 98.15 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.014 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 62.2 mt -65.12 -43.33 95.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 C-N-CA 123.03 0.532 . . . . 0.0 111.246 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -62.17 -41.7 98.57 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 121.504 0.669 . . . . 0.0 109.423 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -66.48 -37.95 86.22 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.571 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.4 tp10 -60.51 -45.02 95.35 Favored 'General case' 0 C--O 1.188 -2.135 0 C-N-CA 124.321 1.048 . . . . 0.0 108.975 178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' ILE . 87.7 t -58.64 -40.83 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 C-N-CA 124.172 0.989 . . . . 0.0 109.521 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 13.6 t70 -68.2 -38.27 81.79 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.034 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.44 -30.05 61.73 Favored 'General case' 0 C--O 1.192 -1.954 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.634 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 50.3 mt -68.32 -40.8 81.51 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 34.9 tt0 -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.344 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -87.74 -15.8 36.01 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.621 1.569 . . . . 0.0 110.717 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -113.0 -50.47 2.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.03 -65.44 0.05 OUTLIER Glycine 0 C--N 1.294 -1.801 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t30 72.32 18.47 4.62 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 122.651 1.215 . . . . 0.0 108.874 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 7.3 mtmp? -67.71 -49.8 60.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.446 -175.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.83 -23.47 0.94 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.423 -171.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.94 -36.11 78.48 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -62.2 -47.44 84.46 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -177.57 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.39 96.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.143 0.497 . . . . 0.0 110.748 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -68.24 -38.61 81.99 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.801 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD11 HG12 ' A' ' 34' ' ' ILE . 50.9 tp -64.02 -37.29 86.91 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.018 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 50' ' ' LYS . 20.6 mt -65.39 -33.41 75.9 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.504 0.669 . . . . 0.0 111.068 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.2 mtp180 -66.23 -36.23 82.47 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -64.73 -35.65 81.75 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.136 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HA ' ' OG ' ' A' ' 60' ' ' SER 0.321 2.8 pp -74.13 -30.81 62.48 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 119.12 -1.032 . . . . 0.0 111.199 174.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 11.3 m -62.53 -34.97 77.97 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-O 121.966 0.888 . . . . 0.0 109.314 175.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' ARG . 60.0 t -71.16 -45.86 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.241 176.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.801 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 2.6 p -62.7 -29.68 70.84 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 122.697 1.237 . . . . 0.0 111.364 176.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' THR . 35.0 tt0 -65.15 -40.72 94.78 Favored 'General case' 0 C--N 1.28 -2.425 0 CA-C-N 112.702 -2.044 . . . . 0.0 108.184 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.13 71.08 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.956 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.801 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.4 m-85 -67.07 -42.94 83.85 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.63 -50.84 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 123.172 0.295 . . . . 0.0 110.542 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.63 -41.81 83.3 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.96 87.89 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.33 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.6 t -70.21 -32.3 70.13 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' A' ' 96' ' ' ASP . 14.7 mtp180 -69.04 -34.04 74.56 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.772 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -66.41 -27.0 72.81 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 173.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' SER . 48.4 t80 -69.99 -46.38 65.28 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -62.89 -38.38 90.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.399 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 96.6 mt-30 -59.54 -38.76 81.9 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.0 mmm180 -69.47 -33.25 72.63 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.15 0.5 . . . . 0.0 110.073 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.72 -31.96 72.25 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.402 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.6 mt -71.12 -15.94 62.53 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 31.1 mmmt -93.31 -6.55 47.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 0.0 110.56 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 79' ' ' ASP . 47.9 mtp180 -56.28 -40.28 74.01 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m 74.11 -38.24 0.39 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.386 1.074 . . . . 0.0 109.259 -171.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 29.9 t70 -86.72 77.1 9.39 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.824 0.821 . . . . 0.0 109.675 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -151.15 157.91 43.31 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -130.11 -178.29 4.67 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -55.17 -31.04 61.05 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 118.566 0.621 . . . . 0.0 110.989 179.234 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.64 -48.47 79.37 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 123.938 0.895 . . . . 0.0 112.154 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.8 mm-40 -70.4 -45.07 66.67 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.992 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -56.13 -38.24 70.55 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.068 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.44 -36.73 85.11 Favored 'General case' 0 C--O 1.187 -2.202 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -73.7 -35.42 65.13 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 122.798 0.439 . . . . 0.0 110.427 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.688 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.0 m-85 -75.52 -46.29 33.07 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.86 -31.67 72.44 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.44 -40.88 73.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.567 -1.253 . . . . 0.0 110.371 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.56 69.64 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.478 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 78.8 mt -58.88 -43.18 90.86 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -68.17 -36.9 80.35 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.436 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.8 m -68.92 -46.43 68.31 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.07 -43.95 96.52 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.904 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.504 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 37.8 t70 -66.52 -37.55 85.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.129 0.464 . . . . 0.0 111.867 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 70.5 mt -64.76 -49.47 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.7 -27.32 63.9 Favored 'General case' 0 C--O 1.191 -1.981 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.244 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.95 -41.98 77.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 97' ' ' LEU . 18.1 ptmt -71.27 -31.85 67.98 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.42 -33.09 69.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.308 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.499 HD21 HD13 ' A' ' 57' ' ' LEU . 6.9 tt -60.72 -50.31 74.0 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.331 1.452 . . . . 0.0 109.649 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -61.63 -39.54 91.69 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.42 78.54 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.5 -36.89 74.05 Favored 'General case' 0 C--O 1.172 -3.007 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.43 -44.63 95.57 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.232 0.613 . . . . 0.0 111.637 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.72 -33.65 76.1 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.366 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -69.1 -46.55 67.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.945 0.879 . . . . 0.0 109.444 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 50' ' ' LYS . 42.2 t -65.02 -39.85 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.729 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -64.85 -36.67 85.08 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.68 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.02 -30.78 70.96 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.058 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.8 m . . . . . 0 CA--C 1.552 1.025 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.771 0.796 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -72.41 -28.5 63.01 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.284 -175.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.88 -37.91 87.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.73 -29.07 64.13 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.075 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.95 21.49 13.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.857 0.837 . . . . 0.0 110.123 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -85.35 -18.77 32.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.296 0.57 . . . . 0.0 109.712 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.203 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG21 HD11 ' A' ' 64' ' ' ILE . 7.8 tp -72.13 -33.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.538 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -47.74 84.31 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.653 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.28 -35.86 81.47 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.331 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.8 t80 -65.11 -46.2 82.02 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 32' ' ' LEU . 3.8 pp -67.78 -35.85 79.42 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 31' ' ' LEU . 4.4 pp -70.26 -35.35 73.71 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.38 -0.928 . . . . 0.0 110.393 176.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 51.1 t-80 -62.17 -39.55 93.01 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.366 175.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 30' ' ' PHE . 55.9 mt -61.58 -40.72 87.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 C-N-CA 123.014 0.525 . . . . 0.0 110.374 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -63.25 -41.5 99.06 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.377 0.608 . . . . 0.0 109.535 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -69.69 -33.54 72.67 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.908 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 32.9 mm-40 -63.45 -32.35 73.76 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.0 t -64.0 -50.55 76.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -60.7 -42.86 98.04 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.095 0.95 . . . . 0.0 110.143 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 44' ' ' THR . 39.1 t70 -63.42 -47.44 81.96 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.573 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -66.94 -33.96 76.73 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 123.021 0.2 . . . . 0.0 110.764 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.14 -39.26 81.85 Favored 'General case' 0 N--CA 1.431 -1.377 0 O-C-N 123.702 0.626 . . . . 0.0 112.507 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -93.98 -23.61 17.98 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 115.861 -2.336 . . . . 0.0 111.04 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 2.9 m -84.55 -29.64 25.73 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.94 -56.74 0.18 Allowed Glycine 0 C--N 1.316 -0.558 0 C-N-CA 118.323 -1.894 . . . . 0.0 114.322 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 2.6 p-10 59.45 24.4 13.04 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 125.82 1.648 . . . . 0.0 112.01 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -56.38 -50.11 72.52 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.444 1.097 . . . . 0.0 112.057 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -138.2 -4.02 1.72 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 46' ' ' ASN . 16.8 mt-10 -63.04 -35.22 79.52 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 112.641 -2.072 . . . . 0.0 112.073 -170.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 12.5 tptm -62.25 -50.0 73.47 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -41.6 84.73 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.279 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 49' ' ' GLU . 19.0 ttm180 -59.84 -44.27 94.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.195 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.3 tp -70.47 -34.19 72.11 Favored 'General case' 0 N--CA 1.41 -2.433 0 CA-C-O 121.242 0.544 . . . . 0.0 111.336 -177.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 61.5 mt -68.24 -33.44 74.41 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.079 175.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.2 tpt180 -69.71 -32.26 70.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.4 tp10 -62.11 -38.88 90.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.125 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.3 pp -72.98 -33.13 65.63 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.755 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.5 m -62.33 -37.01 83.97 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 121.766 0.793 . . . . 0.0 109.896 175.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' ARG . 67.6 t -70.97 -43.45 76.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.074 0.464 . . . . 0.0 109.755 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.827 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 31.0 p -63.54 -29.6 70.84 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.98 1.371 . . . . 0.0 110.984 177.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 58' ' ' THR . 32.4 tt0 -67.24 -38.05 84.54 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.719 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.91 -31.83 72.69 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.282 177.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.827 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.3 m-85 -65.74 -37.53 86.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 175.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 27' ' ' ILE . 14.4 mm -61.92 -43.42 97.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.731 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.52 -38.11 86.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.992 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.37 85.47 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.123 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 12.6 p -73.61 -36.62 65.51 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.376 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -69.48 -33.81 73.43 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.501 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.48 73.51 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' SER . 40.8 t80 -67.67 -48.92 65.26 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.1 m-85 -60.65 -39.15 87.28 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.313 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.32 -49.13 77.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -71.82 -31.95 67.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 117.577 -1.649 . . . . 0.0 111.875 177.087 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp10 -67.0 -29.29 69.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.292 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.76 -18.61 65.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.336 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -91.99 -6.85 50.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.857 0.463 . . . . 0.0 112.115 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.3 mmt180 -64.38 -30.74 71.77 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m 73.35 -17.95 0.4 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 124.325 1.05 . . . . 0.0 111.549 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 10.8 m-20 -60.17 -41.8 93.6 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.914 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD13 ' HE2' ' A' ' 88' ' ' PHE . 2.4 pt? -60.52 152.0 27.07 Favored 'General case' 0 CA--C 1.483 -1.603 0 CA-C-O 123.098 1.428 . . . . 0.0 109.113 175.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -109.44 176.2 5.17 Favored 'General case' 1 C--N 1.215 -5.282 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.5 -30.77 63.38 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.309 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.6 mm-40 -73.09 -32.3 64.91 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 121.361 0.6 . . . . 0.0 111.373 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' HB2' HD12 ' A' ' 80' ' ' LEU . 37.9 ttmt -58.04 -37.03 73.6 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -67.6 -32.42 73.13 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.407 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -73.33 -42.0 62.82 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 125.932 1.693 . . . . 0.0 108.218 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.1 m-85 -73.51 -36.33 65.73 Favored 'General case' 0 CA--C 1.476 -1.903 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.78 -37.92 89.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.55 67.38 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.137 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.41 88.46 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.716 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -60.81 -40.04 91.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.48 -26.9 61.98 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 123.668 0.605 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 m -72.64 -49.63 30.51 Favored 'General case' 0 N--CA 1.421 -1.88 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.92 -41.1 95.59 Favored Glycine 0 C--O 1.204 -1.741 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.93 -46.21 79.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.726 0.298 . . . . 0.0 111.063 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.19 -39.89 78.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.98 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.6 pp -71.63 -27.58 63.19 Favored 'General case' 0 C--O 1.203 -1.365 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.668 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.35 -40.44 93.62 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -66.35 -33.11 74.99 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.433 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.34 -34.9 65.88 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 95.0 mt -58.48 -50.05 75.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.263 0.625 . . . . 0.0 109.614 175.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -65.96 -30.61 71.2 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.304 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.15 -44.75 64.91 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -69.82 -33.98 73.05 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -42.62 95.54 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.925 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.77 81.07 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -68.89 -45.97 69.59 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 122.848 0.459 . . . . 0.0 109.85 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 105' ' ' LEU . 57.7 t -67.39 -39.65 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.283 0.563 . . . . 0.0 109.911 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -61.8 -33.25 73.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.182 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.93 -31.78 61.61 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.701 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.543 0.695 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.651 179.141 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 45.8 t30 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.749 0.309 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.0 p -66.4 -40.64 89.73 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.847 0.459 . . . . 0.0 112.228 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.11 89.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.215 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -69.48 -38.18 77.58 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 77.5 mt-30 -62.45 -39.67 94.14 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -62.6 -45.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.038 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' HG13 ' A' ' 64' ' ' ILE . 19.4 m-85 -99.41 10.73 40.85 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.858 -1.137 . . . . 0.0 113.505 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 85.1 t60 -69.23 -18.99 63.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.126 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.69 -45.13 87.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.794 0.807 . . . . 0.0 109.238 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 27' ' ' ILE . 3.0 mp -74.09 -33.49 35.75 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 31' ' ' LEU . 39.1 tt0 -59.76 -36.2 76.16 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.574 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 29.7 mtpp -64.29 -44.52 91.41 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.95 -40.88 86.02 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.611 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 28' ' ' GLU . 96.5 mt -58.07 -47.91 81.73 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.483 0.182 . . . . 0.0 111.212 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -69.61 -37.22 76.79 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.748 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 58.3 t60 -65.17 -48.19 74.35 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.348 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 38' ' ' VAL . 67.7 mt -67.2 -40.7 85.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 122.693 0.397 . . . . 0.0 111.701 -175.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -62.25 -43.85 97.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -60.26 -45.71 92.36 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.35 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 30.4 mm-40 -62.08 -32.9 73.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.766 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 89.4 t -63.06 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.35 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.75 -44.0 97.76 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.31 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 25.1 t70 -60.61 -47.95 83.96 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.927 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.3 -34.65 76.53 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.695 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 52.8 mt-10 -61.81 -30.04 70.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -103.66 -13.52 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 118.956 -1.098 . . . . 0.0 111.649 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -94.17 -41.62 9.4 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.529 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.13 -68.4 0.02 OUTLIER Glycine 0 C--N 1.314 -0.651 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.237 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 t30 75.73 13.24 2.9 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.633 1.173 . . . . 0.0 109.363 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.93 -50.32 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.039 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -146.74 -18.26 0.42 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.784 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.62 -35.49 76.29 Favored 'General case' 0 C--O 1.195 -1.771 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.832 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' HG2' ' A' ' 113' ' ' GLU . 26.9 tptt -58.56 -51.02 71.66 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 123.8 0.687 . . . . 0.0 110.33 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -43.64 84.39 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -61.0 -44.89 96.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.505 178.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.88 -37.39 87.2 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-O 121.188 0.518 . . . . 0.0 111.518 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.493 HD21 ' HB ' ' A' ' 109' ' ' VAL . 73.9 mt -64.58 -33.14 75.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.52 0.676 . . . . 0.0 110.819 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.7 mmt180 -69.71 -29.81 67.3 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.471 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.55 -35.87 78.01 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.7 pp -70.26 -30.59 67.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.271 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 51.3 m -62.68 -40.67 97.84 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.209 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.8 t -66.39 -40.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.798 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 27.1 m -59.31 -48.81 80.24 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.895 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.27 -30.41 71.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.705 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.76 87.42 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.798 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.262 10.0 p90 -76.57 -34.8 58.45 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.265 -1.374 . . . . 0.0 111.736 -178.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.436 HG13 ' CE1' ' A' ' 24' ' ' PHE . 12.2 tt -68.24 -36.44 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 119.186 -1.006 . . . . 0.0 111.405 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.48 -37.93 89.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.75 -42.8 98.47 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -68.4 -31.16 70.32 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 122.257 -0.555 . . . . 0.0 110.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -40.54 89.72 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 121.093 0.473 . . . . 0.0 109.787 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -62.81 -27.7 70.53 Favored Glycine 0 N--CA 1.424 -2.156 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.892 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -71.03 -41.88 70.26 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -65.09 -39.72 93.58 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.346 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.12 -35.78 74.05 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.502 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.566 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.88 -43.73 71.22 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' HB2' ' A' ' 77' ' ' ARG . 25.6 mt-10 -63.95 -29.39 70.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 0.0 112.296 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.4 tt -60.25 -25.21 65.49 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.082 0.953 . . . . 0.0 109.655 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -102.38 -6.79 22.62 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 75.6 ttt180 -66.04 -22.9 66.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.611 0.765 . . . . 0.0 113.056 -171.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m 73.35 -32.68 0.25 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.668 0.787 . . . . 0.0 110.564 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 27.4 t70 -83.29 67.86 9.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.546 1.165 . . . . 0.0 109.446 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -155.07 153.23 30.58 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.97 173.04 6.52 Favored 'General case' 1 C--N 1.24 -4.155 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.1 pp -55.42 -30.03 59.69 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.291 0.496 . . . . 0.0 109.875 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 82' ' ' LEU . 3.0 tm? -57.69 -49.98 74.72 Favored 'General case' 0 CA--C 1.512 -0.515 0 C-N-CA 124.303 1.041 . . . . 0.0 109.833 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 42.2 mt-10 -71.79 -37.13 70.47 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.269 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -59.37 -39.76 84.31 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.044 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.12 -32.51 74.24 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.363 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -36.81 69.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.601 0.761 . . . . 0.0 109.883 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.2 m-85 -71.11 -45.87 62.82 Favored 'General case' 0 CA--C 1.466 -2.256 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.14 -33.3 75.47 Favored 'General case' 0 N--CA 1.423 -1.817 0 O-C-N 123.751 0.657 . . . . 0.0 110.264 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.68 -44.8 63.6 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.127 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.11 74.08 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.206 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -61.95 -38.96 90.46 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.51 71.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.233 0.333 . . . . 0.0 110.666 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.49 -46.53 69.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.22 0.534 . . . . 0.0 110.069 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.62 89.46 Favored Glycine 0 N--CA 1.416 -2.639 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.631 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.26 -46.19 87.97 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.681 0.24 . . . . 0.0 111.179 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.93 -45.74 87.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.02 -28.23 64.25 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.893 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.88 -36.97 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -65.94 -33.42 75.79 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.069 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.42 -38.96 68.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.004 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.3 mt -54.81 -49.94 69.75 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 123.771 0.828 . . . . 0.0 110.146 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.25 -35.95 78.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.21 76.24 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.68 -34.53 72.09 Favored 'General case' 0 N--CA 1.428 -1.534 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.066 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.25 -46.83 87.46 Favored 'General case' 0 C--O 1.184 -2.358 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 176.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -67.99 -48.04 66.88 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.493 ' HB ' HD21 ' A' ' 54' ' ' LEU . 60.5 t -67.35 -39.75 83.38 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-O 121.184 0.516 . . . . 0.0 110.304 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -60.28 -33.3 72.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.455 1.502 . . . . 0.0 108.861 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.14 -32.77 59.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.785 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.4 m -67.96 -24.54 65.17 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.062 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.516 ' HG2' ' HG2' ' A' ' 50' ' ' LYS . 42.6 mt-10 . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.868 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 120.843 0.354 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 2.2 m -62.34 -49.91 73.69 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.856 0.836 . . . . 0.0 108.822 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -68.8 -27.83 66.22 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.816 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -62.73 -43.65 98.25 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 122.943 0.497 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.97 -35.94 82.8 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.462 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 19' ' ' THR . 42.0 mtp180 -70.54 -27.97 64.56 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.059 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' A' ' 71' ' ' PHE . 4.8 m-30 -90.24 -11.51 40.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.461 0.648 . . . . 0.0 110.966 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -71.15 -16.05 62.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.5 -42.78 98.5 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.358 173.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.25 -34.05 36.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.239 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.14 -45.62 90.48 Favored 'General case' 0 C--O 1.25 1.124 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.289 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 32' ' ' LEU 0.283 22.3 pttp -66.73 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.223 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 14.4 m-85 -58.31 -45.33 88.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.728 0.299 . . . . 0.0 110.634 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.47 -44.76 92.94 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.345 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.5 pp -69.68 -35.26 74.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.553 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -59.27 -41.81 89.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.741 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.3 mt -65.76 -46.72 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.171 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.1 m -61.23 -41.0 96.11 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.83 -46.5 89.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.827 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -31.89 73.08 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.604 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.2 t -59.04 -44.96 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.594 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 19.9 t70 -67.88 -43.99 78.07 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 118.509 -1.276 . . . . 0.0 110.443 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.08 -45.4 93.04 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.621 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD11 ' HD3' ' A' ' 50' ' ' LYS . 4.5 pp -65.66 -35.54 81.09 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -176.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.3 mm-40 -63.16 -28.95 70.41 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.892 0.377 . . . . 0.0 110.47 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 28.5 mmtp -92.27 -29.46 16.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.277 1.037 . . . . 0.0 110.15 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 m -86.57 -0.56 56.39 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 113.679 -1.601 . . . . 0.0 111.317 -176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.64 -39.2 2.63 Favored Glycine 0 C--N 1.312 -0.753 0 C-N-CA 118.608 -1.758 . . . . 0.0 114.689 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' OD1' ' HE2' ' A' ' 50' ' ' LYS . 35.1 t30 67.65 40.62 2.46 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 122.443 1.116 . . . . 0.0 109.794 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.22 -48.61 67.33 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.309 -0.869 . . . . 0.0 112.566 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -155.7 -3.68 0.13 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.069 0.462 . . . . 0.0 110.875 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.15 -37.21 84.33 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.876 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.8 ttpt -62.05 -49.86 74.28 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 121.467 0.651 . . . . 0.0 111.399 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -58.66 -44.76 90.23 Favored 'General case' 0 C--N 1.274 -2.694 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.48 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 mtm105 -66.66 -40.5 88.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.018 0.437 . . . . 0.0 111.885 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HA ' ' A' ' 34' ' ' ILE . 46.2 tp -62.22 -36.65 82.6 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 121.53 0.681 . . . . 0.0 111.408 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.7 mt -63.79 -33.64 76.13 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.29 0.567 . . . . 0.0 109.659 174.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 30.3 mmt180 -68.92 -27.92 66.2 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 40.5 tt0 -65.76 -40.35 91.98 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.693 176.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.4 pp -72.65 -31.72 65.32 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.105 177.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.7 m -62.19 -46.97 86.57 Favored 'General case' 0 C--O 1.253 1.261 0 CA-C-O 122.069 0.938 . . . . 0.0 110.168 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 63' ' ' PHE . 10.5 p -65.66 -37.09 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.402 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.795 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 50.5 m -59.25 -29.91 67.89 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 121.528 0.68 . . . . 0.0 112.018 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 52.7 mt-10 -69.48 -39.43 77.69 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.07 75.11 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.218 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.795 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 2.6 m-85 -67.74 -44.03 78.53 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 19.0 mm -58.8 -49.57 82.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 O-C-N 123.355 0.409 . . . . 0.0 111.253 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.7 -34.56 78.6 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.044 0.45 . . . . 0.0 111.848 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.03 -41.28 48.74 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.237 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.1 p -71.79 -31.58 66.75 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 122.572 -0.37 . . . . 0.0 110.467 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 66.9 mtp180 -64.22 -44.25 92.48 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.916 174.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.665 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.2 -24.7 72.07 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 175.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' A' ' 67' ' ' SER . 60.5 t80 -70.63 -51.5 27.62 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 37.4 m-85 -63.49 -39.54 94.72 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.247 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 86.3 mt-30 -60.99 -38.15 84.96 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.1 mpt_? -70.61 -32.51 69.89 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 120.881 0.372 . . . . 0.0 111.933 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 8.9 mm-40 -63.21 -31.35 72.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.044 0.45 . . . . 0.0 110.645 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.27 -21.13 64.96 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.173 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -86.58 -7.17 58.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.886 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.4 -33.09 64.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.856 0.36 . . . . 0.0 111.332 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 m 73.81 -5.91 1.92 Allowed 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 123.941 0.896 . . . . 0.0 111.176 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -64.59 -36.32 83.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.804 0.812 . . . . 0.0 110.032 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -62.62 168.21 3.89 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 123.342 1.544 . . . . 0.0 110.854 176.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.84 -163.55 1.33 Allowed 'General case' 1 C--N 1.237 -4.312 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 -29.38 70.63 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 119.001 0.819 . . . . 0.0 110.832 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -49.69 74.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.795 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 13.5 mm-40 -71.8 -34.16 69.14 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.842 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 26.9 ttpp -57.28 -43.25 82.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.66 -33.5 74.07 Favored 'General case' 0 C--O 1.196 -1.741 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.226 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -73.53 -35.13 65.52 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 123.692 0.797 . . . . 0.0 110.087 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.653 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.0 m-85 -70.46 -45.71 65.24 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 48.5 mt-10 -65.33 -33.04 75.03 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.902 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.39 76.98 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.369 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -65.68 -43.06 90.38 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.573 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 75.2 mt -58.63 -39.82 81.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -35.68 66.3 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.823 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.9 m -69.55 -45.5 68.61 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.58 -36.07 87.48 Favored Glycine 0 N--CA 1.415 -2.733 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.867 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.79 -42.92 69.69 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.07 -45.78 80.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -70.9 -26.0 63.03 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.9 tt -68.12 -39.94 82.62 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.85 -33.58 76.18 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.081 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.36 -35.53 68.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.667 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.4 mt -60.9 -48.09 83.39 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 123.766 0.827 . . . . 0.0 109.68 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HE2' ' CD2' ' A' ' 99' ' ' LEU . 66.9 mttm -66.08 -35.0 79.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.41 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.98 70.38 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.254 0.55 . . . . 0.0 109.82 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -69.89 -33.28 71.99 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.36 -46.35 88.89 Favored 'General case' 0 C--O 1.19 -2.051 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.616 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -37.41 87.07 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.986 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -68.45 -43.31 77.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.721 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.33 -39.51 72.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 CA-C-O 121.016 0.436 . . . . 0.0 110.705 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.67 -46.81 87.91 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.378 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.7 -50.58 14.94 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.476 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 p 49.85 -46.0 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 129.124 2.969 . . . . 0.0 118.013 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--N 1.275 -2.64 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -173.351 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 p30 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -74.09 -38.13 63.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 122.155 -0.341 . . . . 0.0 110.779 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.34 74.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.247 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -66.35 -32.31 73.63 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.811 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -65.58 -40.42 92.73 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 23' ' ' ARG . 1.5 tpm_? -68.47 -26.54 65.54 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.483 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 7.0 m-85 -99.51 17.41 20.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.663 -0.815 . . . . 0.0 112.513 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -63.95 -30.96 71.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.0 mt-10 -68.93 -32.79 72.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.175 0.512 . . . . 0.0 110.666 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 98' ' ' LEU . 27.0 mm -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.47 -47.23 86.29 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.291 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 64.3 pttt -62.95 -38.87 92.81 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.986 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -58.6 -48.37 81.19 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.51 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.66 -47.71 85.02 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 123.391 0.432 . . . . 0.0 111.519 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.3 pp -70.17 -35.53 74.05 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.111 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 32' ' ' LEU . 58.5 t-80 -60.79 -49.17 78.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 123.912 0.885 . . . . 0.0 109.807 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.6 mt -62.22 -42.93 97.14 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.795 0 O-C-N 124.207 0.942 . . . . 0.0 110.686 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.447 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 15.5 m -60.46 -47.9 84.1 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.24 0.543 . . . . 0.0 111.228 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.69 -33.0 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.65 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 22.8 tt0 -68.47 -30.95 69.91 Favored 'General case' 0 C--O 1.196 -1.725 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.559 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 t -61.08 -47.14 94.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.55 -38.31 89.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.246 0.966 . . . . 0.0 110.899 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.75 -47.99 82.72 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.77 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 35.6 mt -61.99 -43.39 98.94 Favored 'General case' 0 CA--C 1.47 -2.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 46' ' ' ASN . 28.4 tt0 -60.28 -34.34 73.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.815 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -98.24 -17.86 18.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.661 0.744 . . . . 0.0 110.142 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.4 m -82.23 -28.85 31.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.751 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -61.28 0.1 OUTLIER Glycine 0 CA--C 1.493 -1.342 0 C-N-CA 119.606 -1.283 . . . . 0.0 111.945 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 5.3 t30 76.36 24.42 1.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.142 1.377 . . . . 0.0 108.11 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -68.53 -52.06 36.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.065 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.1 p-10 -157.72 12.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 123.245 1.498 . . . . 0.0 107.747 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 41' ' ' LEU . 20.4 mt-10 -72.09 -35.01 69.1 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 112.528 -2.124 . . . . 0.0 109.491 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 16.8 tptt -58.44 -48.6 80.18 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -60.3 -43.9 95.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.263 -1.335 . . . . 0.0 110.914 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 90.6 mtt180 -62.05 -45.33 94.04 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.808 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.5 tp -64.27 -36.35 83.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 121.582 0.706 . . . . 0.0 111.004 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 72.8 mt -65.4 -32.76 74.56 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.223 0.535 . . . . 0.0 110.595 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 89.3 mtt180 -67.28 -35.22 79.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 10.1 tp10 -61.84 -42.56 99.18 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.029 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.0 pp -69.2 -29.94 68.01 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 109.981 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 41.8 m -63.1 -41.32 99.36 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.209 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.76 -38.42 82.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.851 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.6 m -59.36 -43.14 92.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.091 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -69.45 -29.92 67.72 Favored 'General case' 0 C--O 1.211 -0.929 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.458 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.96 90.57 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 111.495 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.326 10.1 p90 -74.66 -30.45 61.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.289 -1.364 . . . . 0.0 112.217 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -63.46 -35.01 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 50.9 mt-10 -60.27 -45.17 94.26 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.62 85.12 Favored Glycine 0 C--O 1.246 0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.054 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -65.93 -37.75 86.88 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 67.1 ttt180 -68.16 -45.12 74.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.227 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -63.97 -27.06 70.76 Favored Glycine 0 N--CA 1.43 -1.716 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -71.04 -43.75 67.24 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 47.8 m-85 -61.65 -40.06 93.57 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 111.255 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 90.2 mt-30 -62.16 -41.66 98.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.482 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.6 mpt_? -69.93 -32.87 71.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.943 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 13.8 mm-40 -59.95 -30.3 68.99 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.221 0.608 . . . . 0.0 111.339 173.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.52 -16.64 62.89 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.003 0.43 . . . . 0.0 111.15 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -100.64 -5.09 27.16 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.747 0.819 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -53.14 -20.77 4.12 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.107 1.363 . . . . 0.0 113.284 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m 76.0 -42.74 0.46 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 110.766 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.19 90.57 4.4 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.876 0.846 . . . . 0.0 109.645 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -163.5 149.02 11.26 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 104.57 -2.382 . . . . 0.0 104.57 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.46 -162.31 1.1 Allowed 'General case' 0 C--N 1.253 -3.611 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.5 -30.79 69.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 118.184 0.447 . . . . 0.0 111.644 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -49.79 65.64 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 120.952 0.406 . . . . 0.0 110.555 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.7 mp0 -70.54 -43.77 68.87 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.412 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -56.46 -43.79 79.88 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.256 1.022 . . . . 0.0 109.552 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.95 -32.69 72.46 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.875 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.43 -38.2 71.39 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 124.903 1.281 . . . . 0.0 110.148 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.8 m-85 -71.95 -46.79 56.2 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 -31.65 70.95 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.368 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.11 70.08 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 118.502 -1.279 . . . . 0.0 110.192 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -71.53 -38.13 71.09 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.44 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 97.3 mt -59.14 -37.15 76.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.82 64.67 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.895 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -68.69 -42.97 77.06 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.97 -35.81 90.01 Favored Glycine 0 N--CA 1.425 -2.033 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.514 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 23.1 t70 -67.84 -45.7 73.9 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.834 0.317 . . . . 0.0 110.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.2 -44.86 86.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.41 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD13 HG21 ' A' ' 27' ' ' ILE . 4.5 pp -70.03 -26.7 64.17 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.244 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.3 tt -67.89 -36.62 80.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 7.4 mtpm? -68.66 -33.32 73.8 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.539 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.33 -39.1 89.02 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.897 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 105' ' ' LEU . 96.1 mt -58.08 -50.22 74.23 Favored 'General case' 0 N--CA 1.46 0.055 0 O-C-N 123.894 0.746 . . . . 0.0 110.455 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.54 -32.98 68.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.74 72.64 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.31 -34.7 73.02 Favored 'General case' 0 C--O 1.175 -2.831 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.33 -42.67 92.0 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.502 0.501 . . . . 0.0 109.737 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -37.11 80.34 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.286 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' ASP . 50.8 mtm180 -68.39 -42.92 78.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.888 0.851 . . . . 0.0 109.65 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' A' ' 50' ' ' LYS . 87.6 t -69.62 -39.53 78.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.825 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -59.61 -38.21 80.66 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' ARG . 13.0 t70 -68.35 -29.91 68.75 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.56 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m -75.76 -26.07 57.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' HA ' HD21 ' A' ' 46' ' ' ASN 0.252 16.3 pt-20 . . . . . 0 C--O 1.243 0.722 0 C-N-CA 118.419 -1.313 . . . . 0.0 112.033 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.412 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 62.8 m-20 . . . . . 0 CA--C 1.496 -1.103 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -66.53 -32.8 74.38 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 123.034 0.534 . . . . 0.0 110.25 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -62.51 -47.37 84.23 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.345 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' A' ' 18' ' ' ASN . 1.7 m -70.57 -38.0 74.04 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.947 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -62.34 -40.06 95.12 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -62.77 -38.75 91.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.699 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -91.07 -1.66 57.75 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.944 -1.102 . . . . 0.0 112.58 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -74.09 -21.38 59.93 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.45 -44.82 77.72 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.304 1.049 . . . . 0.0 108.315 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.63 -34.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.93 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 35.7 tt0 -59.57 -35.59 74.58 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.186 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -66.14 -39.78 90.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.867 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -58.61 -45.88 88.21 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.281 0.562 . . . . 0.0 109.641 171.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 2.6 tm? -57.57 -48.47 79.25 Favored 'General case' 0 C--O 1.252 1.219 0 C-N-CA 124.689 1.196 . . . . 0.0 111.065 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.34 -35.69 73.76 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.454 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 9.4 t-80 -64.14 -42.73 96.67 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.001 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.0 mt -62.68 -45.44 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 117.719 0.236 . . . . 0.0 110.544 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -63.95 -44.22 93.47 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-O 121.466 0.65 . . . . 0.0 110.353 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 49.9 t-80 -66.79 -31.4 72.01 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.33 0.586 . . . . 0.0 110.133 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.3 tp10 -65.74 -33.88 76.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 34' ' ' ILE . 58.2 t -64.08 -38.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 5.1 m-20 -60.28 -45.4 93.47 Favored 'General case' 0 C--O 1.265 1.912 0 CA-C-O 122.452 1.12 . . . . 0.0 110.613 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.4 -47.63 59.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.61 -172.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.07 -34.14 75.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 123.398 0.436 . . . . 0.0 110.495 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 41' ' ' LEU . 38.0 tt0 -61.53 -42.9 99.51 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 123.684 0.615 . . . . 0.0 110.77 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -81.62 -13.13 58.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.027 -1.069 . . . . 0.0 109.772 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 40.8 m -95.16 -4.29 46.32 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.319 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.12 -51.4 0.75 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.06 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.6 t30 71.6 73.43 0.17 Allowed 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 124.224 1.01 . . . . 0.0 110.916 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.254 34.2 mmtp -71.79 -48.65 45.09 Favored 'General case' 0 C--N 1.283 -2.31 0 C-N-CA 118.717 -1.193 . . . . 0.0 112.876 171.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -146.73 -13.76 0.43 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.965 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.74 -41.74 98.05 Favored 'General case' 0 C--O 1.191 -2.001 0 C-N-CA 123.22 0.608 . . . . 0.0 112.072 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.4 ttpp -64.98 -48.75 72.89 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.882 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.6 85.55 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.904 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -68.28 -44.57 75.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.406 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 30.5 tp -60.94 -37.9 83.97 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 123.947 0.899 . . . . 0.0 111.559 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 82.4 mt -64.46 -36.37 83.95 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 ttt180 -69.31 -36.89 77.44 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.8 tp10 -61.36 -43.14 99.38 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 109.434 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.497 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -71.32 -30.83 66.68 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 m -64.25 -39.66 94.4 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-O 121.484 0.659 . . . . 0.0 109.55 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' ARG . 61.0 t -66.59 -38.91 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.804 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 32.2 m -59.62 -46.09 90.0 Favored 'General case' 0 C--O 1.25 1.118 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.631 178.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -58.85 -36.03 73.9 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.746 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.56 76.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 7.3 p90 -76.75 -33.14 58.12 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.824 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -35.82 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.63 -31.66 68.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.58 -36.83 88.83 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 29.9 t -69.68 -32.67 71.41 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -63.86 -43.4 96.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.233 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.3 -24.66 69.22 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 174.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.471 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 59.0 t80 -70.64 -46.65 62.9 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 49.6 m-85 -65.16 -39.81 93.46 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -40.71 80.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.429 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 7.6 mpt_? -69.46 -37.52 77.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.463 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 11.0 mm-40 -65.13 -31.63 72.91 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.06 -20.89 65.77 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -110.46 -6.79 14.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.035 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.61 -28.4 67.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.161 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 m 75.79 -5.2 2.22 Favored 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.42 38.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.357 1.063 . . . . 0.0 109.925 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -142.39 154.17 44.39 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -110.66 176.83 4.88 Favored 'General case' 0 C--N 1.259 -3.363 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.37 -30.92 63.29 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.06 -49.97 72.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.56 0.744 . . . . 0.0 110.72 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 43.3 mt-10 -71.83 -37.88 70.23 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.763 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -56.27 -42.56 77.65 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -59.48 -32.77 70.56 Favored 'General case' 0 C--O 1.197 -1.705 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -74.6 -39.63 62.08 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 123.296 0.638 . . . . 0.0 109.867 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.9 m-85 -73.59 -42.21 61.85 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.79 -32.09 71.56 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 114.143 -1.389 . . . . 0.0 109.163 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.01 80.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.89 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -68.15 -41.16 82.01 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.093 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -57.81 -42.76 84.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.89 -36.53 75.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.7 m -68.67 -45.61 71.28 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.917 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.1 87.62 Favored Glycine 0 N--CA 1.415 -2.752 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.838 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.08 0.467 . . . . 0.0 110.422 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.1 -48.49 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.519 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.15 -27.56 64.64 Favored 'General case' 0 C--O 1.204 -1.304 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.21 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 14.4 mt -67.21 -37.43 83.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.11 -37.56 81.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.18 -38.19 75.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.359 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.88 -51.05 70.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.666 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 4.5 ptpp? -72.76 -29.25 63.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.399 -0.921 . . . . 0.0 113.082 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.44 70.49 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -71.03 -33.96 70.83 Favored 'General case' 0 C--O 1.18 -2.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' A' ' 103' ' ' LYS . 46.7 tt0 -58.38 -46.71 85.83 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 123.862 0.865 . . . . 0.0 109.771 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.1 -32.62 74.18 Favored 'General case' 0 C--O 1.183 -2.421 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -68.52 -48.88 63.2 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.445 0.698 . . . . 0.0 109.444 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.5 t -67.92 -38.37 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.312 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -65.45 -33.16 75.29 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.27 173.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 -17.84 54.85 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.616 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 m -58.78 -26.2 63.81 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.933 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.438 -1.037 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.335 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 CA--C 1.489 -1.372 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.2 m -62.94 -35.7 80.97 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.933 0.397 . . . . 0.0 111.292 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -65.47 -48.13 73.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.952 -177.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -74.91 -34.76 62.2 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.674 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.01 -43.83 94.44 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.94 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -66.28 -32.86 74.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -84.06 0.0 50.04 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.083 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -72.44 -22.84 61.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.681 -0.407 . . . . 0.0 109.963 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.48 -40.34 95.49 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.785 0.802 . . . . 0.0 109.866 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.44 -34.9 25.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 6.1 tm-20 -59.77 -46.66 88.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.477 0.711 . . . . 0.0 109.481 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.67 -36.09 81.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.518 177.678 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -68.57 -34.16 75.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 62.0 tp -58.35 -43.43 88.35 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.725 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.3 pp -68.59 -35.11 76.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.79 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -59.13 -47.78 84.04 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.683 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.0 mm -62.58 -46.7 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 O-C-N 123.302 0.376 . . . . 0.0 110.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -64.28 -44.6 91.18 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.211 0.529 . . . . 0.0 110.656 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 20.4 t60 -70.27 -31.11 68.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 122.101 -0.375 . . . . 0.0 111.359 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.0 tp10 -59.68 -37.15 77.99 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 34' ' ' ILE . 39.8 t -64.69 -45.03 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 64.0 m-20 -59.21 -45.18 91.77 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 122.322 1.058 . . . . 0.0 109.658 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.12 -47.1 63.22 Favored 'General case' 0 N--CA 1.405 -2.693 0 CA-C-N 113.403 -1.726 . . . . 0.0 109.978 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.37 -35.15 77.29 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.394 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 mt-10 -70.02 -24.96 63.37 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -13.17 26.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.051 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 m -95.14 -58.31 2.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.715 -174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.82 -57.63 0.01 OUTLIER Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.482 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 75.19 4.97 4.22 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.428 1.091 . . . . 0.0 110.186 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -66.04 -48.48 70.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.827 -1.078 . . . . 0.0 113.332 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.18 -22.95 1.53 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.538 0.685 . . . . 0.0 111.323 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.296 43.4 mt-10 -66.49 -32.87 74.5 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' CE ' HG13 ' A' ' 109' ' ' VAL . 38.5 tptt -55.72 -43.49 76.57 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.873 0.844 . . . . 0.0 108.986 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.85 78.54 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.082 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.09 -40.14 88.57 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.672 HD21 HG22 ' A' ' 38' ' ' VAL . 7.2 tp -57.91 -50.12 74.44 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 124.587 1.155 . . . . 0.0 111.148 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 35.9 mt -67.18 -34.68 78.05 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.386 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -68.79 -35.69 77.35 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.35 -36.76 77.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.781 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD11 ' A' ' 102' ' ' LEU . 3.1 pp -74.09 -29.75 62.02 Favored 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.454 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 m -61.06 -38.89 87.82 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.315 0.579 . . . . 0.0 110.293 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.7 t -65.84 -39.89 86.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.84 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -62.42 -42.55 99.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 126.218 1.807 . . . . 0.0 108.332 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 -44.31 63.88 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.586 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.84 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.335 6.8 p90 -76.43 -31.91 58.15 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 117.576 -1.65 . . . . 0.0 112.387 -178.045 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 60' ' ' SER . 5.4 tp -64.37 -37.91 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.873 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.69 -39.89 95.45 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.94 93.54 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.522 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.8 m -73.73 -34.89 64.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 122.431 -0.452 . . . . 0.0 110.347 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 68.7 mtp180 -69.23 -41.39 77.09 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.599 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -64.63 -21.36 66.97 Favored Glycine 0 N--CA 1.422 -2.248 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.462 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.513 ' HA ' ' HD3' ' A' ' 73' ' ' ARG . 64.1 t80 -70.36 -48.17 57.59 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.51 -37.7 87.07 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.238 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 94.6 mt-30 -54.71 -44.77 73.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 173.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' A' ' 69' ' ' GLY 0.324 0.0 OUTLIER -69.74 -30.66 68.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 119.029 -1.068 . . . . 0.0 111.891 174.86 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 7.6 mm-40 -61.63 -29.75 70.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.097 0.475 . . . . 0.0 110.977 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.39 -20.98 66.21 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.503 0.668 . . . . 0.0 110.573 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 49.3 tttp -98.99 -7.75 26.45 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.599 1.16 . . . . 0.0 109.467 -175.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 7.6 ttt-85 -63.52 -27.4 69.24 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.703 1.201 . . . . 0.0 111.31 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.6 m 75.34 -37.18 0.33 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.647 1.179 . . . . 0.0 111.03 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.15 79.1 9.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.003 0.906 . . . . 0.0 110.197 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -161.94 156.13 21.99 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 103.274 -2.862 . . . . 0.0 103.274 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.47 -167.63 1.55 Allowed 'General case' 0 C--N 1.256 -3.492 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.7 -30.35 70.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.57 -49.78 75.27 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.214 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 39.7 mt-10 -72.61 -37.36 68.11 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.627 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.75 -37.62 76.62 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.153 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.89 -37.74 88.13 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.255 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -74.09 -32.51 63.27 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 124.086 0.955 . . . . 0.0 111.218 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 9.2 m-85 -72.06 -40.58 68.23 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.64 -31.73 71.09 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.3 81.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.703 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -63.75 -43.19 97.18 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.48 0.712 . . . . 0.0 110.695 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.7 mt -59.18 -36.4 75.27 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.192 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.67 -37.49 65.24 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 123.507 0.504 . . . . 0.0 110.657 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -43.54 81.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.433 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.25 -38.29 87.45 Favored Glycine 0 N--CA 1.419 -2.446 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.058 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.26 -47.33 86.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.83 0.452 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.83 -48.08 80.61 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.085 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.456 HD11 HG12 ' A' ' 64' ' ' ILE . 3.0 pp -70.72 -29.02 65.17 Favored 'General case' 0 C--O 1.199 -1.597 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.395 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.21 -37.1 77.89 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -68.92 -33.18 73.32 Favored 'General case' 0 N--CA 1.411 -2.38 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.205 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.63 -40.88 63.44 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 109.667 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 57' ' ' LEU . 22.0 tp -59.81 -49.3 78.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.659 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 65.5 mttp -71.78 -29.14 64.15 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.644 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.73 73.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -70.54 -32.98 70.64 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.539 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 54.1 mt-30 -58.56 -45.23 89.43 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 71.1 mmtt -64.48 -32.15 73.66 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 123.532 0.52 . . . . 0.0 109.949 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 72.9 ttt180 -68.66 -48.15 64.73 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 124.134 0.974 . . . . 0.0 109.14 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.494 HG13 ' CE ' ' A' ' 50' ' ' LYS . 41.4 t -58.54 -48.68 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.809 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.496 1.518 . . . . 0.0 110.609 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.87 -40.84 68.66 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -74.2 -25.53 59.74 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.256 1.408 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.909 -178.831 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -62.93 -37.7 88.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.19 85.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.068 -174.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -31.03 61.1 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.84 -36.58 78.33 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.433 0.635 . . . . 0.0 110.25 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -71.94 -40.54 68.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.726 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -89.05 5.62 43.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -69.04 -31.61 70.53 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.98 -41.67 98.27 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 122.184 0.992 . . . . 0.0 109.421 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -77.32 -34.76 21.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.609 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 42.5 tt0 -65.81 -46.47 78.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.02 78.97 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.002 0.429 . . . . 0.0 110.2 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 34' ' ' ILE . 51.0 t80 -62.36 -42.88 99.76 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.314 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.91 -40.99 95.22 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 123.346 0.658 . . . . 0.0 109.333 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 28.4 mt -64.92 -42.32 94.81 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -59.5 -37.86 79.39 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.434 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 38' ' ' VAL . 68.3 mt -62.37 -42.25 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.825 0.45 . . . . 0.0 110.132 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -66.2 -39.35 89.6 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.559 0.695 . . . . 0.0 109.739 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -69.47 -31.76 70.26 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 15.4 tp10 -63.9 -41.06 97.79 Favored 'General case' 0 C--O 1.197 -1.676 0 C-N-CA 123.945 0.898 . . . . 0.0 108.868 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 76.5 t -58.83 -48.61 85.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.247 0 C-N-CA 124.316 1.046 . . . . 0.0 108.236 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -58.6 -43.83 89.67 Favored 'General case' 0 C--O 1.282 2.771 0 CA-C-O 122.556 1.17 . . . . 0.0 110.919 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.31 -48.6 72.55 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.085 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 3.7 pp -65.84 -33.95 77.03 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.483 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 31.8 mm-40 -59.59 -35.44 74.3 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 123.681 0.613 . . . . 0.0 111.389 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 -14.22 21.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.336 -1.345 . . . . 0.0 111.618 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.3 m -90.87 -39.25 12.43 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.259 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.85 -50.8 0.17 Allowed Glycine 0 C--N 1.312 -0.775 0 C-N-CA 119.778 -1.201 . . . . 0.0 112.966 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 57.34 31.66 20.52 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.981 1.713 . . . . 0.0 111.626 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.48 -50.44 63.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.46 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -150.68 -9.74 0.25 Allowed 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 122.404 1.097 . . . . 0.0 109.313 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.86 -34.48 74.66 Favored 'General case' 0 C--O 1.2 -1.525 0 C-N-CA 125.745 1.618 . . . . 0.0 111.045 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 65.4 tttt -65.42 -48.5 72.57 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 120.772 0.32 . . . . 0.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.32 85.44 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.132 0.491 . . . . 0.0 110.239 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.71 -42.54 99.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.009 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.8 tp -61.27 -38.17 85.78 Favored 'General case' 0 N--CA 1.428 -1.564 0 C-N-CA 123.651 0.78 . . . . 0.0 111.537 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.5 mp -64.52 -33.73 76.59 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.81 0.814 . . . . 0.0 111.203 174.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -69.73 -25.18 63.72 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.7 174.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 9.0 tp10 -70.22 -37.79 75.09 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.268 4.0 pp -72.56 -29.26 63.39 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 177.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 24.2 m -62.18 -39.26 92.08 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.49 -38.72 83.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.785 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.8 m -60.54 -46.63 89.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.06 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.1 pt-20 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.87 86.53 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.785 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 16.0 p90 -75.8 -31.36 59.39 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 117.986 -1.486 . . . . 0.0 110.782 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 98' ' ' LEU . 6.7 mm -60.22 -48.45 88.05 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.71 -28.34 64.67 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.341 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.39 -46.03 81.17 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 174.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 p -68.96 -35.55 76.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 92' ' ' LEU . 68.2 mtp180 -62.72 -42.28 99.58 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 175.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.63 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.89 -25.38 71.9 Favored Glycine 0 N--CA 1.419 -2.495 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.09 -49.72 41.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 31.9 m-85 -59.86 -40.43 88.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.653 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -65.73 -39.48 91.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.63 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.8 -33.96 73.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.127 0.489 . . . . 0.0 111.568 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -70.3 -37.51 74.79 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.76 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 tp -66.53 -15.92 63.76 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.68 0.753 . . . . 0.0 110.765 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 81.6 tttt -82.65 -15.91 50.29 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.027 0.931 . . . . 0.0 110.195 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' ' 79' ' ' ASP . 54.5 mtt180 -69.96 -34.46 73.44 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 m 77.28 -22.65 0.27 Allowed 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 3.9 p30 -65.98 -15.72 63.25 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 121.748 0.785 . . . . 0.0 111.754 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 6.3 mp -55.54 171.22 0.21 Allowed 'General case' 0 CA--C 1.476 -1.879 0 C-N-CA 127.716 2.406 . . . . 0.0 111.331 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.6 -176.78 4.09 Favored 'General case' 1 C--N 1.234 -4.433 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.87 -30.4 70.12 Favored 'General case' 0 C--O 1.191 -2.007 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.04 -48.84 80.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.173 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 21.9 mm-40 -71.7 -48.1 49.57 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.722 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.98 -44.4 78.52 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.638 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -68.17 -32.33 72.5 Favored 'General case' 0 C--O 1.188 -2.163 0 O-C-N 123.157 0.285 . . . . 0.0 110.764 -176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.75 -40.57 63.4 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.3 m-85 -76.77 -42.12 42.06 Favored 'General case' 0 CA--C 1.484 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.44 -33.59 76.05 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.93 71.2 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.526 -1.269 . . . . 0.0 109.564 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.53 -43.57 76.45 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.469 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 4.4 pp -65.37 -33.94 77.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.471 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.95 -30.51 62.58 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 m -67.9 -41.65 82.38 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.2 -44.76 97.71 Favored Glycine 0 N--CA 1.417 -2.575 0 CA-C-N 114.005 -1.452 . . . . 0.0 112.422 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.7 -41.33 92.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 117.251 0.526 . . . . 0.0 110.498 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.0 mt -65.44 -43.77 89.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.232 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.6 pp -72.38 -27.65 62.51 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.649 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.19 -46.43 77.36 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -69.35 -31.24 69.54 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.717 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.03 -34.59 76.76 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 87.4 mt -58.04 -48.67 79.38 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 99.8 mttt -69.12 -27.23 65.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.056 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.1 73.73 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.73 -34.32 71.77 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.72 -41.94 87.55 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.958 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.8 mmtt -65.84 -35.52 80.9 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.388 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.74 -45.09 75.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.503 0.668 . . . . 0.0 109.552 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 54' ' ' LEU . 60.5 t -67.58 -39.3 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.677 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -59.6 -38.45 81.29 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -76.25 -18.2 59.12 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.886 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t -76.95 -25.59 53.01 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.344 -0.836 . . . . 0.0 109.041 177.345 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.386 0.136 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 m -63.17 -36.27 83.06 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.302 0.572 . . . . 0.0 110.158 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -66.73 -47.08 73.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.252 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -41.7 97.45 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.155 0.982 . . . . 0.0 110.005 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.67 -36.38 76.33 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.613 0.765 . . . . 0.0 110.953 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -75.77 -39.22 57.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.118 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -84.94 -4.82 59.28 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.429 0.633 . . . . 0.0 112.245 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -68.15 -27.46 66.45 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.546 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 18.9 mm-40 -72.45 -29.84 64.04 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.607 0.717 . . . . 0.0 109.963 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.5 mp -78.4 -35.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 19.4 tp10 -59.23 -39.91 84.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 39.8 ttmt -59.33 -39.82 84.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.256 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 25.1 m-85 -59.59 -44.89 93.23 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.52 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.2 -39.85 80.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 120.955 0.407 . . . . 0.0 111.513 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 23.9 mt -63.57 -47.05 83.11 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.38 -45.72 90.65 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.502 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' VAL . 73.7 mt -62.68 -46.09 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -64.14 -41.97 96.99 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.967 0.413 . . . . 0.0 110.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.13 -39.11 91.45 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 109.752 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -30.3 67.85 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 47.7 t -62.9 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.9 -45.07 87.47 Favored 'General case' 0 C--O 1.265 1.882 0 CA-C-O 122.124 0.964 . . . . 0.0 110.427 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.99 -44.52 95.8 Favored 'General case' 0 C--O 1.194 -1.863 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.141 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.1 pp -64.44 -35.01 79.54 Favored 'General case' 0 CA--C 1.483 -1.626 0 O-C-N 123.373 0.421 . . . . 0.0 110.81 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.3 tm-20 -63.1 -34.48 77.69 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.7 -36.03 17.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.015 0.912 . . . . 0.0 110.007 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 23.3 m -68.91 -10.73 58.71 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 125.752 1.621 . . . . 0.0 112.097 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.39 -37.83 2.53 Favored Glycine 0 N--CA 1.463 0.455 0 C-N-CA 119.125 -1.512 . . . . 0.0 114.394 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 71.68 19.12 5.08 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 122.232 1.015 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' OE1' ' A' ' 49' ' ' GLU . 6.5 ptpp? -67.05 -47.55 71.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.573 -173.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.84 -17.66 3.14 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 122.036 0.922 . . . . 0.0 109.758 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.549 ' OE1' ' HG2' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -59.87 -35.77 75.51 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.024 -171.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.691 ' HE2' ' O ' ' A' ' 109' ' ' VAL . 9.2 tptm -65.45 -50.53 65.05 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.317 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.949 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -66.03 -48.59 70.62 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.968 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.77 -35.59 77.25 Favored 'General case' 0 N--CA 1.423 -1.779 0 CA-C-O 121.307 0.575 . . . . 0.0 110.962 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 93.5 mt -62.26 -33.18 74.12 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.191 0.52 . . . . 0.0 111.036 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.0 ttm180 -69.34 -37.35 77.65 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.43 -35.51 79.48 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.789 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.4 pp -71.84 -32.08 67.16 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.793 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 42.9 m -64.95 -35.75 82.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 121.844 0.83 . . . . 0.0 109.821 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 55' ' ' ARG . 48.5 t -69.3 -43.12 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.821 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 19.4 m -62.84 -31.15 72.11 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 123.287 1.518 . . . . 0.0 110.432 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' THR . 24.3 tt0 -67.98 -37.4 81.48 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-N 112.052 -2.34 . . . . 0.0 107.257 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.11 63.7 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.898 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 2.5 m-85 -63.94 -41.4 97.62 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 32.9 mm -59.22 -45.26 93.06 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.738 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' HH21 ' A' ' 68' ' ' ARG . 11.1 mm-40 -56.61 -45.27 81.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 111.77 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.78 95.9 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.6 m -69.74 -32.35 70.84 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 43.2 mtm105 -67.91 -39.61 83.56 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.287 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.711 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.99 -31.54 79.78 Favored Glycine 0 N--CA 1.42 -2.401 0 C-N-CA 120.249 -0.977 . . . . 0.0 110.693 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -70.63 -52.03 24.05 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 121.292 0.567 . . . . 0.0 109.666 -173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -65.89 -38.81 89.74 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.738 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -59.12 -40.03 84.16 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.335 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.711 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.9 mpt_? -69.59 -44.69 70.25 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.826 -0.17 . . . . 0.0 110.742 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.62 -29.45 70.06 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD11 ' HG3' ' A' ' 85' ' ' LYS . 28.9 tp -66.18 -15.86 63.5 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.755 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 20.9 pttm -96.07 -5.29 41.25 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 121.952 -0.467 . . . . 0.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -50.74 -19.66 1.02 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.577 1.951 . . . . 0.0 115.118 -167.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.9 m 75.87 -46.66 0.56 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.719 0.808 . . . . 0.0 110.336 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -92.11 74.59 5.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 123.175 1.464 . . . . 0.0 111.09 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -159.52 152.98 22.48 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -127.11 -161.88 1.11 Allowed 'General case' 0 C--N 1.268 -2.972 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.06 -30.55 69.29 Favored 'General case' 0 C--O 1.202 -1.405 0 CA-C-N 118.043 0.383 . . . . 0.0 111.004 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.3 -48.54 77.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.506 0.669 . . . . 0.0 111.484 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 9.5 mp0 -71.26 -45.4 63.26 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.201 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' A' ' 75' ' ' LEU . 23.4 ttmm -55.59 -40.88 72.61 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 114.286 -1.324 . . . . 0.0 109.767 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.22 -36.71 83.74 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.377 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -74.51 -32.75 62.61 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 122.973 0.509 . . . . 0.0 111.054 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.6 m-30 -68.78 -45.36 71.55 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 58.5 mt-10 -67.97 -32.43 72.85 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.628 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.36 79.28 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.796 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -64.43 -41.78 96.4 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 96.4 mt -59.25 -41.91 89.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.359 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 -35.28 67.98 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -66.27 -44.7 82.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -41.61 95.66 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.32 -49.92 75.99 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 122.775 0.43 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.604 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.68 -28.63 63.86 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.603 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 6.6 tt -69.52 -40.63 76.8 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 122.312 1.053 . . . . 0.0 108.33 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -71.81 -31.02 66.12 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.798 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.18 -38.8 82.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 106' ' ' GLN . 79.8 mt -54.95 -48.37 73.28 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.589 173.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -61.46 -38.15 86.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.544 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.28 68.01 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 109' ' ' VAL . 1.2 pp -70.45 -33.82 71.73 Favored 'General case' 0 C--O 1.174 -2.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -59.12 -44.11 91.98 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 124.374 1.069 . . . . 0.0 109.187 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.33 -34.29 77.65 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.335 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -67.35 -42.04 84.18 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.759 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.691 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 60.1 t -70.56 -38.74 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.337 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -49.68 -46.93 50.42 Favored 'General case' 0 CA--C 1.489 -1.399 0 C-N-CA 123.353 0.661 . . . . 0.0 110.307 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 113' ' ' GLU . 7.4 t70 -87.5 -50.37 6.58 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 117.246 -1.781 . . . . 0.0 110.967 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 p 60.73 -25.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 127.752 2.421 . . . . 0.0 115.924 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 111' ' ' ASP . 2.2 mp0 . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.094 1.358 . . . . 0.0 109.428 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.568 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.7 OUTLIER . . . . . 0 CA--C 1.496 -1.122 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 p -61.89 -49.75 74.97 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.55 78.78 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 p -75.34 -35.28 61.2 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.14 0.495 . . . . 0.0 111.781 -176.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.09 -36.31 77.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.55 -34.62 77.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -95.43 14.76 21.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 27.1 t60 -72.77 -29.38 63.26 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 1.4 mp0 -63.28 -40.87 98.59 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.294 0.568 . . . . 0.0 110.888 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.0 -34.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.532 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -66.45 -39.61 88.96 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.299 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 14.1 ptmm? -66.86 -36.47 82.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.55 0.691 . . . . 0.0 109.545 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.72 -37.39 82.16 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.83 -37.01 82.84 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 47.3 mt -65.48 -44.48 87.01 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 176.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.66 -39.01 82.99 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.129 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.6 mm -61.81 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.51 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 26.0 m -62.85 -44.07 97.12 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 121.484 0.659 . . . . 0.0 110.39 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.405 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 40.0 m-70 -70.81 -30.55 67.03 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.43 -32.8 74.34 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.8 t -62.37 -50.64 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.606 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 70.5 m-20 -55.18 -42.58 73.38 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.499 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.17 -45.67 55.2 Favored 'General case' 0 N--CA 1.402 -2.866 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.493 -173.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -68.9 -34.24 75.09 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 38' ' ' VAL . 2.8 tp10 -61.81 -40.91 96.91 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -13.18 50.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.437 1.113 . . . . 0.0 110.081 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 2.6 m -83.61 -33.61 25.29 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.082 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.71 -46.08 0.79 Allowed Glycine 0 CA--C 1.478 -2.227 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.024 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.479 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 32.0 t30 67.47 60.9 0.47 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.861 0.839 . . . . 0.0 111.25 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -72.01 -50.43 28.69 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.518 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.69 -0.3 1.75 Allowed 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.22 -36.95 85.74 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.923 -172.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HD2' HG12 ' A' ' 109' ' ' VAL . 3.3 tppp? -62.17 -49.54 75.41 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -62.86 -44.62 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.026 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -59.82 -47.13 86.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 34.4 tp -65.14 -39.33 92.87 Favored 'General case' 0 N--CA 1.408 -2.54 0 CA-C-O 121.145 0.498 . . . . 0.0 111.928 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 109' ' ' VAL . 76.4 mt -69.96 -33.91 72.7 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.079 -0.649 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 97.4 mtt180 -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.0 tp10 -62.06 -43.93 97.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.273 1.029 . . . . 0.0 109.185 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HB2' HD12 ' A' ' 102' ' ' LEU . 3.8 pp -71.3 -29.98 65.7 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 63.1 m -62.9 -39.21 93.81 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 122.241 1.019 . . . . 0.0 109.187 175.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.62 -38.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.817 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 20.3 m -61.68 -46.97 87.43 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.632 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.4 pt-20 -64.27 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.34 80.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.703 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.817 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.281 9.3 p90 -76.68 -31.47 57.28 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.207 -178.596 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.65 -33.97 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.195 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 36.4 tt0 -67.56 -34.35 76.87 Favored 'General case' 0 N--CA 1.435 -1.194 0 O-C-N 121.799 -0.563 . . . . 0.0 109.498 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.25 93.66 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.15 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 p -69.69 -32.36 70.91 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' A' ' 65' ' ' GLU . 57.1 mtm180 -67.83 -41.27 83.26 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.971 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -61.51 -26.79 66.96 Favored Glycine 0 N--CA 1.431 -1.671 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.0 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -70.35 -46.18 64.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.34 -39.79 88.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.736 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.7 -36.57 81.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.571 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 16.8 mmm180 -71.12 -39.91 71.76 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.98 0.419 . . . . 0.0 110.583 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.95 -29.93 69.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 75' ' ' LEU . 5.6 tt -60.87 -23.83 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.655 1.182 . . . . 0.0 109.276 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.59 -6.49 58.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.76 -54.3 20.39 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.9 m 75.79 3.76 3.84 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 122.355 1.074 . . . . 0.0 110.511 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.51 -26.13 63.45 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.744 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 5.7 mp -97.43 -178.65 4.22 Favored 'General case' 0 N--CA 1.41 -2.441 0 C-N-CA 124.382 1.073 . . . . 0.0 110.845 -176.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.7 t70 -108.76 -158.85 0.66 Allowed 'General case' 0 C--N 1.267 -3.016 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.421 -172.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -57.77 -27.54 63.16 Favored 'General case' 0 C--O 1.191 -1.998 0 CA-C-O 121.114 0.483 . . . . 0.0 109.98 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.249 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.8 pt-20 -71.13 -54.15 12.07 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 118.317 -1.353 . . . . 0.0 108.892 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 13.3 mptt -56.03 -43.63 77.99 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.948 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.44 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 83.4 t80 -68.81 -33.03 73.17 Favored 'General case' 0 N--CA 1.419 -1.982 0 O-C-N 123.888 0.742 . . . . 0.0 111.691 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -73.73 -37.42 65.11 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 84' ' ' GLU . 5.7 m-85 -76.38 -44.04 38.04 Favored 'General case' 0 CA--C 1.464 -2.335 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.3 pt-20 -66.68 -31.96 72.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.78 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.28 70.43 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.13 -34.65 73.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.2 mt -63.32 -38.51 91.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.01 62.36 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.49 0.494 . . . . 0.0 110.177 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.3 m -64.48 -47.12 80.17 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.507 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -68.17 -39.86 88.17 Favored Glycine 0 N--CA 1.423 -2.169 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.424 -177.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.78 -42.09 77.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.301 0.55 . . . . 0.0 110.32 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.98 -42.4 89.87 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 64' ' ' ILE . 4.1 pp -71.33 -28.74 64.3 Favored 'General case' 0 C--O 1.201 -1.499 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.523 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -67.62 -40.82 84.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -63.86 -33.6 76.06 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.907 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.73 -36.36 70.45 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 57' ' ' LEU . 3.0 mm? -57.2 -46.21 83.08 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.67 -41.48 83.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.606 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.27 72.24 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.41 -34.46 74.52 Favored 'General case' 0 C--O 1.18 -2.602 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.433 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.5 tt0 -59.97 -37.93 81.04 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 123.224 0.328 . . . . 0.0 111.353 177.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.54 -36.73 81.55 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -68.06 -41.16 82.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.862 0.839 . . . . 0.0 110.146 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.64 HG12 ' HD2' ' A' ' 50' ' ' LYS . 90.4 t -68.73 -38.46 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.803 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -62.85 -35.84 81.29 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.15 -35.13 79.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.637 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 t -63.75 -24.67 67.86 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 124.579 1.151 . . . . 0.0 111.968 177.46 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p30 . . . . . 0 CA--C 1.546 0.807 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -71.06 -44.58 65.47 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.159 0.89 . . . . 0.0 112.081 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . . . -68.71 -39.81 80.3 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 121.133 0.492 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -70.42 -33.82 71.79 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.166 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -68.75 -39.96 80.04 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.175 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 20' ' ' ALA . 16.0 ptm180 -77.6 -17.74 57.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.136 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' HA ' HD13 ' A' ' 27' ' ' ILE . 14.3 m-30 -110.53 13.2 22.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.133 0.492 . . . . 0.0 111.168 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.22 -41.94 97.74 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.28 175.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 24' ' ' PHE . 4.1 mp -68.58 -34.57 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.363 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.67 -37.07 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 120.987 0.422 . . . . 0.0 110.102 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.73 -38.68 91.82 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.914 175.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 34' ' ' ILE . 46.9 m-85 -60.27 -42.56 95.66 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.195 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.55 -47.97 80.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.183 0.516 . . . . 0.0 110.07 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.48 -34.81 74.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.664 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 31.9 t-80 -64.94 -39.38 93.4 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.213 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 30' ' ' PHE . 48.4 mm -62.76 -46.58 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -60.41 -40.5 91.22 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.378 0.608 . . . . 0.0 109.782 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.57 -46.78 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.212 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 9.5 mm-40 -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.489 0.493 . . . . 0.0 109.917 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 56.1 t -65.27 -50.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.81 -37.79 87.22 Favored 'General case' 0 C--O 1.271 2.235 0 CA-C-O 122.201 1.001 . . . . 0.0 109.723 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.02 -47.4 84.92 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.046 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 4.6 pp -66.69 -33.73 76.29 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 74.6 mm-40 -59.32 -29.57 67.73 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 123.671 0.607 . . . . 0.0 110.484 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -106.47 -11.83 15.81 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.074 -1.05 . . . . 0.0 112.872 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -107.02 -43.84 4.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -172.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.8 -88.88 0.07 OUTLIER Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.241 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 1.1 p30 109.19 -3.9 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 128.185 2.594 . . . . 0.0 111.333 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -64.22 -48.82 74.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -166.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.3 p-10 -126.1 -10.36 6.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.595 0.712 . . . . 0.0 109.904 176.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -68.46 -36.85 79.59 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 125.408 1.483 . . . . 0.0 112.883 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 11.2 tptm -67.38 -47.34 70.65 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -176.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.38 79.44 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.065 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 31.2 ttt180 -63.5 -48.89 75.74 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 124.515 1.126 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 3.9 pp -67.86 -31.53 71.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.5 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 69.7 mt -64.16 -34.26 77.66 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 121.531 0.681 . . . . 0.0 110.114 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 ttt180 -69.25 -36.31 77.01 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.16 -34.82 71.33 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.771 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' A' ' 102' ' ' LEU . 3.8 pp -71.39 -32.72 68.78 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.5 m -62.37 -38.46 89.68 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 123.724 0.81 . . . . 0.0 110.751 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' ARG . 74.0 t -70.66 -39.08 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 175.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.8 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.8 m -61.26 -41.93 97.77 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 122.581 1.181 . . . . 0.0 109.548 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -63.62 -33.12 74.91 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.832 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.56 60.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.447 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.8 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.368 3.4 p90 -72.04 -31.26 65.99 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.211 -0.996 . . . . 0.0 113.605 177.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.626 HG13 HD11 ' A' ' 98' ' ' LEU . 14.8 mm -65.53 -40.86 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.399 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.5 -43.56 98.65 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.93 -44.01 98.4 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.635 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -71.75 -36.8 70.54 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.776 -0.249 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' PHE . 39.7 ptt180 -69.7 -33.35 72.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.697 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -67.65 -27.28 73.6 Favored Glycine 0 N--CA 1.429 -1.808 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -71.06 -38.72 72.48 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 68' ' ' ARG . 20.2 m-85 -64.97 -40.65 95.31 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.98 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 15.7 mm100 -56.58 -42.0 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.481 0.488 . . . . 0.0 109.868 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -62.4 -43.61 98.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 176.252 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 40.4 mt-10 -68.19 -31.32 70.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.008 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 96.1 mt -71.85 -17.82 62.11 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 3.7 mmmp? -90.78 -13.03 34.73 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 74' ' ' GLU . 99.2 mtt180 -66.81 -20.67 65.98 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.327 0.584 . . . . 0.0 109.882 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 m 73.54 -32.59 0.24 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.52 1.528 . . . . 0.0 114.204 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.91 -76.13 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.001 0.52 . . . . 0.0 111.649 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 75' ' ' LEU . 7.0 mp 58.38 171.87 0.06 Allowed 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.525 1.631 . . . . 0.0 114.998 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.93 152.14 51.27 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-N 111.828 -2.442 . . . . 0.0 104.679 168.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.45 -40.11 93.27 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 118.425 0.557 . . . . 0.0 110.774 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.57 -38.31 80.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.12 0.486 . . . . 0.0 110.477 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.2 -41.41 85.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.444 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 27.4 ttpp -60.94 -39.27 88.82 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.16 -34.22 74.67 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.246 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -74.1 -39.43 63.38 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.077 1.351 . . . . 0.0 109.028 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.1 m-85 -69.12 -45.32 70.46 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.21 -31.99 72.75 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.372 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.08 74.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.363 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.82 74.99 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.452 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -58.25 -41.91 85.23 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.66 -29.01 62.06 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.4 m -75.33 -39.69 59.16 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.73 -41.07 89.74 Favored Glycine 0 N--CA 1.415 -2.727 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 26.2 t70 -57.71 -49.3 76.97 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 122.738 0.415 . . . . 0.0 110.563 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 78.8 mt -62.75 -46.35 88.47 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.626 HD11 HG13 ' A' ' 64' ' ' ILE . 4.6 pp -70.67 -26.89 63.64 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.292 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.53 -38.4 84.16 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.579 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 5.1 mptp? -68.9 -32.84 72.77 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.995 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.32 -45.81 75.35 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 57' ' ' LEU . 71.9 mt -60.3 -51.04 71.22 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.543 1.137 . . . . 0.0 111.582 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.431 ' O ' ' HE2' ' A' ' 107' ' ' LYS . 67.0 mttm -69.95 -35.22 74.32 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.87 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.24 71.15 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.006 0.431 . . . . 0.0 110.274 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -71.22 -33.88 70.31 Favored 'General case' 0 C--O 1.184 -2.387 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' HG2' HD22 ' A' ' 54' ' ' LEU . 21.6 tm0? -63.98 -38.53 91.43 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -68.45 -33.03 73.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.295 175.475 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -68.71 -41.99 78.32 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 105' ' ' LEU . 94.4 t -63.65 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.37 -33.25 75.53 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.868 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.42 -42.65 68.02 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.787 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -65.48 -31.06 71.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.098 0 O-C-N 125.082 1.489 . . . . 0.0 112.231 173.002 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 p30 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -66.06 -25.65 67.13 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.927 0.394 . . . . 0.0 111.6 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.32 80.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.687 0.28 . . . . 0.0 110.83 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 p -73.35 -29.0 62.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.327 0.584 . . . . 0.0 110.918 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -67.33 -35.2 78.92 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.155 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -72.64 -48.53 38.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.971 174.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.1 81.81 5.06 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.838 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 -27.38 2.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.35 -39.6 65.08 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.252 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.9 tp -69.68 -34.23 60.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.703 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 9.4 tp10 -63.35 -48.19 79.0 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.224 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.97 -36.43 84.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.304 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.1 m-85 -57.7 -44.12 85.65 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 123.161 0.288 . . . . 0.0 110.508 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.68 -45.91 85.0 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.803 0.69 . . . . 0.0 109.248 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 21.4 mt -63.58 -44.87 92.8 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 122.084 0.945 . . . . 0.0 109.794 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -67.68 -36.24 80.32 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.629 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.4 mt -62.45 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 123.708 0.63 . . . . 0.0 109.785 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -61.5 -45.67 93.26 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 121.589 0.709 . . . . 0.0 110.512 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.9 -36.98 81.14 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.9 tp10 -59.91 -41.2 91.17 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 72.9 t -58.7 -50.43 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 C-N-CA 124.247 1.019 . . . . 0.0 109.355 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.2 -40.64 94.47 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-O 121.957 0.884 . . . . 0.0 110.846 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.41 -42.99 82.33 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.501 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.0 pp -68.35 -34.61 76.4 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 70.0 mt-10 -62.45 -36.57 82.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -12.65 48.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.091 0.948 . . . . 0.0 111.099 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.45 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 5.9 m -91.02 -37.63 13.33 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.247 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.88 -49.9 0.3 Allowed Glycine 0 C--O 1.213 -1.193 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER 75.4 12.78 3.17 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 126.436 1.895 . . . . 0.0 112.25 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -63.28 -50.34 70.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.241 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.03 -26.74 3.37 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.002 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.82 -37.89 83.54 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HB2' HD13 ' A' ' 41' ' ' LEU . 26.7 tttm -67.1 -49.37 65.2 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.448 -176.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.96 93.03 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.5 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -69.24 -41.28 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.619 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.75 -38.08 89.77 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 122.92 0.488 . . . . 0.0 110.991 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 64.3 mt -64.62 -33.22 75.43 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.196 0.522 . . . . 0.0 110.427 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.98 -33.62 74.98 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 59' ' ' VAL . 31.1 tt0 -66.49 -38.79 88.03 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.372 176.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 3.1 pp -68.26 -31.11 70.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.398 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 m -64.37 -38.1 89.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.38 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -73.95 -37.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.955 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.744 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 35.6 p -61.97 -41.15 97.68 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.203 0.525 . . . . 0.0 112.236 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 64' ' ' ILE . 13.2 pt-20 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.0 96.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.252 14.2 p90 -76.21 -31.84 58.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 117.975 -1.49 . . . . 0.0 111.827 178.663 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -66.7 -37.32 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.75 -36.78 81.15 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 122.377 -0.202 . . . . 0.0 111.456 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.87 92.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 8.8 t -71.0 -35.31 72.03 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 65.7 mtp180 -69.5 -37.67 77.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.744 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.91 -26.63 70.28 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.622 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 81.5 t80 -70.3 -48.17 57.86 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -57.98 -38.54 76.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.974 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 88.2 mm-40 -64.79 -45.48 86.12 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.469 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 4.8 ptm180 -70.6 -32.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.378 0.608 . . . . 0.0 110.612 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.01 -29.55 66.64 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.152 0.981 . . . . 0.0 109.305 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -71.64 -15.13 62.23 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.493 0.663 . . . . 0.0 110.099 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 72' ' ' GLN . 94.4 mttt -103.48 -5.33 22.93 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.222 1.009 . . . . 0.0 110.362 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -52.08 -27.44 13.95 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.704 1.601 . . . . 0.0 114.401 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 m 72.53 -38.25 0.41 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.02 0.928 . . . . 0.0 110.607 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.76 68.71 9.48 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.291 1.043 . . . . 0.0 109.006 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -162.69 154.4 18.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.416 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.69 -173.61 2.63 Favored 'General case' 0 C--N 1.275 -2.654 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 4.3 pp -57.69 -29.48 64.7 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 123.416 0.447 . . . . 0.0 111.67 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.2 mm? -56.1 -48.22 76.57 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 121.838 0.827 . . . . 0.0 110.246 175.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -70.37 -45.07 66.8 Favored 'General case' 0 N--CA 1.418 -2.041 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.705 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 29.4 mtpp -56.08 -41.26 74.88 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.161 177.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.88 -34.26 77.72 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 123.769 0.668 . . . . 0.0 111.575 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.1 -40.79 62.47 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.013 0.925 . . . . 0.0 109.915 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 4.4 m-85 -74.04 -39.05 63.82 Favored 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.46 -34.86 79.28 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.64 -44.43 70.62 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.995 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.83 79.21 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.281 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 81.9 mt -60.14 -41.75 93.38 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 122.386 0.274 . . . . 0.0 110.763 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.95 -35.88 74.85 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 123.407 0.442 . . . . 0.0 110.622 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 54.7 m -65.41 -49.93 67.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-O 121.863 0.839 . . . . 0.0 109.186 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.71 -43.47 96.27 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 13.1 t70 -60.38 -44.83 95.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.532 0.333 . . . . 0.0 111.348 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 94' ' ' THR . 2.1 pp -63.63 -48.2 78.25 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.326 -175.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.02 -27.63 63.82 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.413 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.5 tt -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -69.5 -31.33 69.51 Favored 'General case' 0 N--CA 1.414 -2.252 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.575 176.152 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.38 -35.06 70.95 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.741 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 99' ' ' LEU . 85.8 mt -55.97 -50.37 70.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.531 0.732 . . . . 0.0 109.628 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -38.78 92.37 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.777 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.75 75.37 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.43 -36.27 73.89 Favored 'General case' 0 C--O 1.187 -2.231 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.005 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.27 -45.93 89.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 O-C-N 123.719 0.637 . . . . 0.0 110.765 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.02 -32.38 72.71 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 123.376 0.423 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -69.03 -44.2 73.19 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.235 0.614 . . . . 0.0 110.178 175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 105' ' ' LEU . 92.6 t -68.48 -39.84 81.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.379 0.609 . . . . 0.0 109.932 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.24 -45.63 87.41 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.35 -41.32 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.686 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -57.59 -32.73 67.47 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 122.867 0.467 . . . . 0.0 112.104 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 117.617 -1.182 . . . . 0.0 112.756 -178.056 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -63.19 -25.35 68.3 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 121.557 -0.715 . . . . 0.0 111.826 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.2 69.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 122.087 -0.383 . . . . 0.0 110.357 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -70.73 -32.48 69.68 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.38 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -58.61 -44.35 89.89 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.674 0.749 . . . . 0.0 110.643 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -76.14 -28.2 57.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.422 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -96.66 1.01 50.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.389 0.614 . . . . 0.0 112.062 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.74 -24.25 66.92 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.7 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.38 -41.87 93.26 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.043 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mp -71.65 -34.42 52.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.44 -41.25 89.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.28 -46.5 88.38 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.608 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -57.96 -45.28 86.92 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 123.191 0.307 . . . . 0.0 111.64 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 81.4 mt -61.78 -45.43 93.9 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.357 0.411 . . . . 0.0 110.72 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.256 4.4 pp -67.8 -35.26 78.34 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.854 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.05 -51.9 67.21 Favored 'General case' 0 CA--C 1.476 -1.876 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.7 mt -61.29 -40.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.326 -176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -61.58 -45.09 95.62 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.341 0.591 . . . . 0.0 109.819 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -65.0 -36.86 85.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.827 0.851 . . . . 0.0 110.38 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -33.91 68.7 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.149 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.0 t -59.64 -41.91 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.87 -42.58 94.72 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.205 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.84 -47.85 81.59 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.057 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.4 pp -65.23 -33.72 76.66 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.353 0.261 . . . . 0.0 111.103 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.18 -28.04 66.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 123.424 0.452 . . . . 0.0 111.697 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.84 -12.55 16.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.396 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.496 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 59.9 m -99.76 -67.72 0.84 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.194 -175.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.74 70.84 0.11 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -175.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.504 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 40.5 p30 -61.84 -33.13 73.62 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -173.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -31.38 70.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -168.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.07 -44.1 3.64 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.931 0.872 . . . . 0.0 110.284 -174.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.91 -35.55 74.67 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.411 -1.268 . . . . 0.0 113.087 -172.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -60.48 -40.79 92.55 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.548 -176.708 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.86 88.82 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.763 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -61.43 -50.27 73.48 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.536 0.684 . . . . 0.0 109.257 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.16 -33.55 73.61 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.717 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 30.0 mt -63.95 -33.67 76.25 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.153 175.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -69.13 -31.47 70.17 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.01 -29.11 68.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.356 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.295 3.0 pp -74.93 -30.83 61.36 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 118.27 -1.372 . . . . 0.0 110.408 173.405 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.621 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 14.7 m -63.36 -36.37 83.47 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 121.5 0.667 . . . . 0.0 110.554 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.8 -37.0 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.234 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.863 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 26.3 m -60.94 -31.06 70.61 Favored 'General case' 0 C--O 1.257 1.471 0 CA-C-O 122.896 1.331 . . . . 0.0 110.92 175.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 58' ' ' THR . 7.9 tp10 -67.66 -39.42 84.53 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 112.627 -2.078 . . . . 0.0 107.039 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.0 66.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.303 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 3.0 m-85 -65.22 -44.71 87.43 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 119.179 -1.008 . . . . 0.0 108.328 175.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.4 mm -61.92 -49.48 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.41 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -56.18 -45.91 79.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.155 0.284 . . . . 0.0 111.456 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.52 93.65 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 m -72.36 -32.81 66.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 42.1 mtp180 -69.64 -43.15 73.22 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.611 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.92 -28.52 72.85 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 56.7 t80 -66.38 -51.91 52.27 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.6 m-85 -61.57 -38.56 87.94 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.344 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.58 -50.3 70.44 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 119.105 -0.474 . . . . 0.0 112.175 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.14 -30.96 68.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.891 -1.523 . . . . 0.0 112.443 177.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 77' ' ' ARG . 15.4 mm-40 -64.79 -30.27 71.27 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 80' ' ' LEU . 7.6 tt -69.62 -16.45 63.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 122.057 0.932 . . . . 0.0 109.525 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -97.62 -5.98 34.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.425 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 41.0 mmt180 -62.96 -26.67 68.94 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m 75.16 -13.2 0.87 Allowed 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 124.288 1.035 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -31.14 65.71 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 85' ' ' LYS . 2.7 pt? -59.21 154.64 15.8 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.355 1.55 . . . . 0.0 110.927 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -117.04 177.31 4.76 Favored 'General case' 1 C--N 1.232 -4.508 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.97 -30.14 65.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 119.017 0.826 . . . . 0.0 109.802 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.04 -49.14 78.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.606 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 31.6 mm-40 -70.78 -39.4 73.22 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 80' ' ' LEU . 56.5 tttm -57.52 -38.73 75.14 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.001 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.56 -35.07 78.32 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.787 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -74.29 -32.34 62.86 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 123.628 0.771 . . . . 0.0 111.218 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.6 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.4 m-85 -68.28 -48.89 63.82 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.2 -31.64 72.6 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.958 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.15 79.34 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.09 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.38 79.6 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.548 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 84.7 mt -58.85 -40.19 83.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.58 -35.27 72.95 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.696 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -70.43 -45.37 66.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -65.98 -36.08 91.54 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.591 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.46 -42.44 95.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 111.43 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 84.4 mt -64.22 -49.64 71.17 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.456 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.46 -26.15 63.51 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.367 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 6.4 tt -63.54 -43.87 95.83 Favored 'General case' 0 C--O 1.253 1.249 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -69.55 -33.38 72.69 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.811 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.58 -31.17 61.97 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.816 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.88 -47.11 87.07 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 124.528 1.131 . . . . 0.0 108.039 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -69.22 -33.75 73.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.073 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.32 -43.57 66.79 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 121.046 0.45 . . . . 0.0 110.492 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.03 -33.75 74.13 Favored 'General case' 0 C--O 1.186 -2.273 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -58.67 -40.87 84.76 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 123.469 0.708 . . . . 0.0 110.08 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.3 -33.2 73.91 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.945 0.402 . . . . 0.0 110.183 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -69.14 -43.99 73.25 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.787 0.803 . . . . 0.0 109.336 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.553 HG12 ' HD3' ' A' ' 50' ' ' LYS . 54.6 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.675 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.99 -32.56 73.04 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.566 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.6 -31.01 61.9 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 m -75.56 -28.18 58.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.443 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.504 ' HG3' ' HB2' ' A' ' 46' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.42 -1.929 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . 19.0 m120 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 120.983 0.421 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -63.52 -32.99 74.61 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.92 84.19 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 p -74.29 -39.09 63.16 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.42 -35.67 80.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -76.84 -25.87 53.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -85.07 -10.57 56.75 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.609 0.719 . . . . 0.0 111.058 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -73.4 -17.82 61.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.13 -41.91 99.41 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.19 -34.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.9 -48.15 82.86 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.623 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -66.19 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.383 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -65.64 -41.71 92.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' HG22 ' A' ' 34' ' ' ILE . 5.9 tt -60.91 -42.88 98.92 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 123.746 0.818 . . . . 0.0 109.743 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.13 -35.55 74.16 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.794 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.9 t60 -71.96 -37.17 69.99 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.035 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.8 tt -69.14 -30.71 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.5 m -65.13 -37.5 87.65 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -64.61 -36.11 83.19 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.219 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 10.3 mm-40 -61.74 -36.12 80.07 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 t -63.77 -44.28 98.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.75 -39.95 95.53 Favored 'General case' 0 C--O 1.266 1.922 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.191 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 12.5 t70 -62.05 -45.15 94.81 Favored 'General case' 0 N--CA 1.408 -2.545 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.175 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 29.1 mt -65.3 -35.9 82.43 Favored 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.5 -29.49 67.89 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.839 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -106.19 -12.22 15.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.839 176.109 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -108.66 -80.97 0.57 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.895 0.878 . . . . 0.0 113.022 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.93 91.32 0.14 Allowed Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 3.5 p-10 -93.82 -11.08 32.0 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -57.88 -45.62 86.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.74 -29.31 3.43 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.327 1.061 . . . . 0.0 111.096 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 52' ' ' ARG . 36.9 mt-10 -61.57 -32.12 72.19 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 14.8 tptm -56.63 -49.3 75.39 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.721 0.772 . . . . 0.0 109.148 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.75 93.94 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.045 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 41.9 ttp180 -61.24 -43.98 98.0 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.878 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -63.59 -36.35 83.52 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.555 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 109' ' ' VAL . 82.7 mt -66.78 -34.67 78.34 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.938 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 67.7 ttt180 -61.35 -33.48 73.7 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.13 -37.51 81.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.216 0.532 . . . . 0.0 109.873 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.318 3.6 pp -73.37 -29.04 62.37 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.846 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.7 m -60.66 -42.14 96.44 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.99 -40.9 88.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.792 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 17.8 m -61.61 -46.01 91.65 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 64' ' ' ILE . 10.5 pt-20 -67.84 -29.27 68.37 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.159 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.02 88.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.792 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.261 12.3 p90 -76.46 -32.13 58.21 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.861 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.96 -38.78 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.03 -40.92 82.79 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.31 -34.92 89.97 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.372 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.572 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 64.8 m -68.4 -35.36 77.55 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -69.95 -38.32 76.1 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.264 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.545 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.14 -29.0 73.71 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 174.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 67' ' ' SER . 29.4 t80 -68.85 -45.1 71.95 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.388 1.075 . . . . 0.0 108.327 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.09 -39.52 93.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.413 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.55 -37.48 73.16 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.955 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 9.8 mpt_? -69.51 -44.31 71.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.261 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 20.9 mm-40 -61.1 -29.79 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.019 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.35 -17.63 64.83 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.346 0.593 . . . . 0.0 110.622 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -100.73 -5.09 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.141 0.576 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -53.67 -27.7 29.13 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.892 1.277 . . . . 0.0 113.86 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m 72.73 -37.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.521 1.128 . . . . 0.0 111.007 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -84.54 68.44 10.32 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 122.454 1.121 . . . . 0.0 109.172 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -163.22 159.12 22.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -131.0 -170.38 2.35 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 174.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 83' ' ' LEU . 3.7 pp -55.31 -30.08 59.5 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 123.655 0.597 . . . . 0.0 111.725 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.5 tm? -58.98 -47.44 85.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.5 0.666 . . . . 0.0 109.516 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 14.0 mm-40 -70.36 -40.63 73.92 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.978 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 10.0 mtpm? -56.34 -42.9 78.49 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -58.34 -33.5 69.6 Favored 'General case' 0 C--O 1.205 -1.267 0 O-C-N 124.358 1.036 . . . . 0.0 111.62 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' HB3' ' A' ' 18' ' ' ASN . 32.6 m-80 -74.48 -39.91 62.17 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 123.716 0.806 . . . . 0.0 109.9 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.6 m-85 -70.57 -48.69 54.08 Favored 'General case' 0 CA--C 1.472 -2.023 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 8.1 pt-20 -67.43 -30.51 70.27 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.92 78.2 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 118.245 -1.382 . . . . 0.0 109.545 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.39 68.61 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.156 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.3 mt -65.84 -41.46 91.71 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.801 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.55 63.13 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.5 m -66.23 -41.85 89.46 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.053 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.93 -37.37 92.13 Favored Glycine 0 C--O 1.198 -2.122 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 18.0 t70 -61.64 -47.59 84.7 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 122.856 0.462 . . . . 0.0 112.193 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 94' ' ' THR . 3.2 pp -66.12 -45.36 81.38 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.082 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.14 -27.78 63.81 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.167 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.6 tt -69.52 -37.53 77.17 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -64.73 -33.09 75.15 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.023 174.068 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -70.52 -44.26 67.93 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.546 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.8 mt -55.99 -47.14 78.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.529 0.732 . . . . 0.0 109.517 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.79 -48.82 77.49 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.91 87.41 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 120.693 0.282 . . . . 0.0 110.63 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.96 -34.02 71.03 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.35 -43.59 92.79 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -68.03 -32.87 73.54 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.188 175.376 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -69.08 -42.23 76.49 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.065 0.936 . . . . 0.0 109.98 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.448 ' HB ' HD21 ' A' ' 54' ' ' LEU . 80.3 t -66.24 -44.72 91.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.694 177.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -61.32 -32.84 72.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 13.9 t70 -70.33 -33.88 72.0 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.846 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 p -83.58 -25.98 30.44 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.319 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.242 0.696 0 O-C-N 124.909 1.38 . . . . 0.0 111.044 174.839 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -62.99 -42.44 99.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.69 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.26 0.553 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -65.62 -41.11 93.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.351 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.53 -38.0 89.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.403 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -66.79 -30.88 71.19 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.422 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 3.7 m-30 -84.3 -5.97 59.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.993 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.44 -19.58 60.92 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.92 -30.64 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.265 0.555 . . . . 0.0 110.462 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mm -78.34 -36.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.1 tp10 -59.89 -39.2 84.53 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.523 172.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -65.94 -39.69 90.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.563 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.7 m-85 -61.99 -41.6 98.22 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 121.013 0.435 . . . . 0.0 110.174 173.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.67 -35.32 77.62 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.262 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 51.7 mt -66.36 -45.54 79.8 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 42.4 t-80 -58.48 -45.92 87.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 113.803 -1.544 . . . . 0.0 110.79 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.728 ' HA ' HD11 ' A' ' 53' ' ' LEU . 88.0 mt -62.26 -46.46 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 O-C-N 123.398 0.436 . . . . 0.0 110.21 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -66.03 -37.74 86.63 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -63.53 -35.67 81.26 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.733 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 22.1 mm-40 -70.83 -38.92 73.27 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 123.244 0.34 . . . . 0.0 110.724 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.706 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 21.2 t -60.98 -41.22 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 121.628 0.728 . . . . 0.0 109.085 172.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.37 -43.15 91.65 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 122.137 0.97 . . . . 0.0 110.59 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . 14.5 t70 -69.21 -30.62 68.83 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.814 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.706 ' CD2' ' HA ' ' A' ' 38' ' ' VAL . 4.3 pp -69.92 -35.44 74.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.554 -0.717 . . . . 0.0 111.11 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 43.9 mt-10 -64.15 -31.03 72.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.094 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 40' ' ' ASP . 12.4 ptmm? -100.13 -22.49 15.16 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.3 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.1 m -153.25 -76.51 0.12 Allowed 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -164.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -93.43 64.38 1.91 Allowed Glycine 0 CA--C 1.489 -1.546 0 N-CA-C 115.061 0.785 . . . . 0.0 115.061 -166.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -103.74 18.59 21.59 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.51 -49.87 56.44 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.297 0.57 . . . . 0.0 111.475 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -150.27 -16.19 0.25 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.332 1.063 . . . . 0.0 109.889 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 22.1 mp0 -61.67 -35.86 79.2 Favored 'General case' 0 C--O 1.194 -1.834 0 C-N-CA 125.469 1.508 . . . . 0.0 112.54 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.639 ' HD3' HG12 ' A' ' 109' ' ' VAL . 1.8 tmmm? -63.19 -49.37 74.51 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.09 84.81 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.214 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.461 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 34' ' ' ILE . 40.9 tp -63.92 -37.58 87.93 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 87.4 mt -62.03 -33.29 74.09 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.16 0.505 . . . . 0.0 110.386 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mmt180 -68.39 -36.95 79.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.46 -37.63 86.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.263 4.1 pp -72.31 -29.97 64.35 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 119.964 -0.695 . . . . 0.0 110.772 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -61.62 -39.6 91.87 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-O 121.931 0.872 . . . . 0.0 108.789 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ARG . 44.1 t -67.42 -40.44 84.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.793 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.861 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 21.5 t -59.89 -48.75 80.41 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.235 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 64' ' ' ILE . 12.6 pt-20 -64.49 -29.99 71.02 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.63 76.95 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.861 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.273 5.9 p90 -76.56 -32.49 58.2 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.993 -178.098 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' CA ' ' A' ' 95' ' ' GLY . 14.8 tt -68.21 -34.51 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.308 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.01 -44.6 94.46 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.02 91.14 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.586 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -69.26 -43.63 73.55 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 110.012 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.98 -33.61 72.29 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.055 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.425 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.2 -30.18 77.18 Favored Glycine 0 N--CA 1.433 -1.502 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 173.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.38 -38.86 81.75 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 26.1 m-85 -63.52 -38.93 93.02 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.422 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -56.61 -43.11 79.84 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.45 0.469 . . . . 0.0 109.85 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.9 mpt_? -63.55 -41.96 98.41 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 6.3 mm-40 -64.47 -33.24 75.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.94 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.58 -16.09 63.75 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -103.47 -7.48 20.89 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.13 0.491 . . . . 0.0 111.229 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 74' ' ' GLU . 40.5 mmm-85 -62.03 -42.41 99.14 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m 77.79 -4.77 2.21 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.343 1.057 . . . . 0.0 109.072 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.24 -15.09 59.12 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.962 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -92.1 148.53 22.11 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.385 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -118.34 -162.43 0.89 Allowed 'General case' 1 C--N 1.232 -4.506 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 118.511 0.596 . . . . 0.0 110.472 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.1 -49.27 65.57 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.597 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 25.5 mp0 -70.44 -41.71 72.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.646 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -58.78 -37.77 77.04 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.122 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -65.52 -33.27 75.54 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -74.14 -38.59 63.7 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 124.441 1.096 . . . . 0.0 110.378 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.0 m-85 -70.59 -43.98 68.25 Favored 'General case' 0 CA--C 1.472 -2.041 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.75 -32.36 72.91 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.78 90.74 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.638 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.43 70.22 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.524 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.4 mt -58.63 -42.88 89.31 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 122.038 0.135 . . . . 0.0 110.688 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.01 -39.21 75.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.116 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.7 m -66.51 -43.66 84.69 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.985 0.898 . . . . 0.0 109.348 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.431 ' CA ' HD11 ' A' ' 64' ' ' ILE . . . -68.48 -41.32 85.17 Favored Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.337 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.32 -45.18 89.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.813 0.307 . . . . 0.0 110.481 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.69 -45.0 92.01 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.5 pp -71.4 -27.46 63.33 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.033 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.93 -38.56 79.6 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -66.11 -33.38 75.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.487 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.64 -35.93 67.89 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.833 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.9 mt -58.16 -48.16 81.14 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.301 0.64 . . . . 0.0 110.942 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 22.3 pttp -71.81 -34.71 69.58 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.352 -0.939 . . . . 0.0 112.608 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.55 71.92 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.69 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.83 -38.31 73.21 Favored 'General case' 0 C--O 1.189 -2.094 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.099 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 21.0 pt20 -65.13 -31.76 73.11 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.153 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -68.31 -35.33 77.65 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.345 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -67.62 -45.3 75.8 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 109.687 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.639 HG12 ' HD3' ' A' ' 50' ' ' LYS . 69.2 t -67.17 -38.05 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 C-N-CA 123.914 0.886 . . . . 0.0 111.363 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -60.3 -39.85 88.41 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.03 -30.34 65.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.135 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 -40.93 72.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.103 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.625 ' HB2' ' NZ ' ' A' ' 50' ' ' LYS . 37.3 mt-10 . . . . . 0 CA--C 1.497 -1.072 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.561 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.687 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.9 p -79.75 -39.2 31.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.189 0.519 . . . . 0.0 112.267 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.25 72.84 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.505 ' OG1' ' HB3' ' A' ' 18' ' ' ASN . 42.2 p -65.06 -30.67 71.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.059 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.613 ' HA ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm0? -62.15 -37.48 85.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.168 178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -80.22 -25.02 39.82 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.352 0.596 . . . . 0.0 110.378 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' A' ' 27' ' ' ILE . 9.4 m-30 -97.31 12.75 31.96 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 22' ' ' GLN . 32.8 m170 -61.8 -39.76 92.85 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.328 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.06 -35.44 78.65 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.116 0.484 . . . . 0.0 110.742 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 64' ' ' ILE . 3.3 mp -75.5 -35.04 31.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 109.461 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.7 tt0 -66.55 -35.06 79.31 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 98.8 mttt -61.77 -41.32 97.55 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.35 -42.51 87.07 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 123.377 0.423 . . . . 0.0 111.097 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 65.8 tp -58.1 -45.75 86.68 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.021 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 27.4 mt -65.93 -42.42 90.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -57.68 -44.33 85.71 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.595 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 90.3 mt -63.41 -45.92 96.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -63.27 -42.54 99.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 121.475 0.655 . . . . 0.0 110.931 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.246 0.546 . . . . 0.0 110.153 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 53' ' ' LEU . 5.9 tp10 -63.31 -31.76 73.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.058 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' ILE . 82.7 t -62.48 -45.83 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.834 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.92 -44.33 93.25 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 121.974 0.892 . . . . 0.0 109.919 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.66 -47.3 85.97 Favored 'General case' 0 C--O 1.191 -1.988 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.134 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.3 pp -64.38 -35.19 80.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.3 mt-10 -69.68 -25.41 63.88 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . 0.358 0.2 OUTLIER -99.21 -12.29 20.55 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 118.469 -1.292 . . . . 0.0 112.769 175.419 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 14.6 m -88.28 -31.18 19.13 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 125.289 1.435 . . . . 0.0 112.17 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.13 -62.62 0.26 Allowed Glycine 0 C--O 1.217 -0.964 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.131 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.272 2.5 p-10 67.58 29.08 7.28 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.443 1.897 . . . . 0.0 113.274 174.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' H ' ' HD3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -68.4 -49.87 56.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.83 0.824 . . . . 0.0 109.465 178.233 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.8 -14.49 4.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.596 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.79 -35.03 75.43 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 124.074 0.95 . . . . 0.0 111.582 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 109' ' ' VAL . 50.7 tptt -62.29 -50.39 71.86 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.508 0.67 . . . . 0.0 109.223 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.03 76.15 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.684 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -61.37 -39.54 91.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.516 0.726 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 37' ' ' GLU . 42.7 tp -69.59 -36.54 76.33 Favored 'General case' 0 N--CA 1.42 -1.96 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.771 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 71.8 mt -62.3 -33.88 75.53 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.189 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -69.35 -33.8 73.63 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.19 -33.0 74.96 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.79 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.275 2.2 pp -74.57 -29.36 61.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.171 177.435 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 m -61.36 -35.97 78.92 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.01 -38.93 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.193 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.774 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 31.5 m -61.43 -48.47 81.03 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.489 0.662 . . . . 0.0 111.837 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.6 -29.15 69.71 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.417 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.69 96.82 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.047 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.774 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.336 14.9 p90 -72.47 -31.12 65.16 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.419 -1.312 . . . . 0.0 112.018 176.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 98' ' ' LEU . 10.4 mm -59.74 -43.63 91.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.687 171.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.12 -40.34 95.58 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.963 0.411 . . . . 0.0 109.995 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.71 -47.81 89.36 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.252 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -70.59 -33.18 70.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 122.741 -0.27 . . . . 0.0 110.834 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.4 mtp180 -66.53 -46.98 74.33 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.855 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.01 70.35 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.44 -50.03 55.62 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.5 m-85 -65.19 -38.43 90.46 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.249 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.37 -33.68 76.42 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -64.5 -42.58 95.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.61 -30.2 71.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.221 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.37 -16.79 64.35 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.834 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.54 -6.62 13.94 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.19 -29.0 70.43 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.684 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.1 m 80.11 -22.01 0.3 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.419 1.088 . . . . 0.0 110.141 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.16 71.42 10.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.677 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.75 152.63 19.85 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -116.33 172.62 7.08 Favored 'General case' 0 C--N 1.251 -3.693 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.06 -29.84 61.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.708 0.685 . . . . 0.0 109.845 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -50.14 74.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.482 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 41.0 mt-10 -72.34 -40.1 67.66 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.83 -176.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.16 -40.12 73.4 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.62 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.41 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 61.3 t80 -63.96 -32.79 74.45 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.78 0.675 . . . . 0.0 111.589 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.25 -37.7 63.68 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 123.597 0.759 . . . . 0.0 109.178 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.716 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.8 m-85 -70.56 -49.31 49.38 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.319 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.1 pt-20 -66.11 -31.73 72.76 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.71 72.97 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 117.695 -1.602 . . . . 0.0 110.467 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.53 72.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 88.9 mt -59.13 -40.25 84.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.757 0.313 . . . . 0.0 110.162 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.34 -33.35 65.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.02 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.6 m -71.8 -40.66 69.02 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.43 89.93 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.241 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.488 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 20.2 t70 -63.47 -49.07 75.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 120.752 0.311 . . . . 0.0 110.624 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 82.1 mt -60.21 -46.96 87.97 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 64' ' ' ILE . 3.5 pp -71.16 -27.56 63.63 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.907 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.53 -38.76 84.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 1.2 mptm? -69.34 -31.12 69.35 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.728 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 31' ' ' LEU . 13.9 t70 -69.36 -40.43 77.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 105' ' ' LEU . 97.1 mt -55.99 -48.57 75.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.242 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.15 -39.67 87.18 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.088 0.955 . . . . 0.0 111.154 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.4 -41.46 72.96 Favored 'General case' 0 C--O 1.255 1.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.358 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -70.45 -33.28 71.1 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 23.6 tt0 -57.9 -46.59 84.69 Favored 'General case' 0 C--O 1.196 -1.712 0 C-N-CA 123.39 0.676 . . . . 0.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.616 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 4.0 mptp? -68.17 -33.23 74.06 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.084 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -63.08 -50.58 70.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 98.6 t -66.74 -44.12 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.658 -176.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.616 ' HG2' ' HA ' ' A' ' 107' ' ' LYS . 4.0 pt20 -65.38 -31.75 73.02 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.105 0.479 . . . . 0.0 111.637 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -77.74 -27.8 50.54 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.661 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -63.52 -46.95 83.68 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.721 -173.596 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.5 t30 . . . . . 0 C--O 1.218 -0.587 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.6 p -62.22 -38.69 90.15 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 123.62 0.768 . . . . 0.0 112.499 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.74 88.55 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.723 0.773 . . . . 0.0 110.845 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -28.61 65.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.978 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.84 -40.55 96.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' THR . 39.8 mmt180 -62.21 -40.8 97.31 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -103.91 18.42 22.03 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.09 -26.02 68.04 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.707 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 10.2 pt-20 -62.07 -41.11 97.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 110.628 175.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.453 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 12.7 mm -77.42 -35.8 22.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.505 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.06 -36.6 83.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.618 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 15.4 m-85 -65.47 -45.61 83.03 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.71 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 85.8 mt -58.19 -45.93 86.7 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.278 0.362 . . . . 0.0 111.005 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.23 -35.8 80.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.367 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 30.9 t60 -67.84 -45.14 75.47 Favored 'General case' 0 C--O 1.208 -1.084 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.52 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.7 mt -63.25 -36.58 76.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 122.931 0.492 . . . . 0.0 111.416 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -64.67 -39.62 94.0 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.45 -31.48 71.69 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.513 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.0 mm-40 -65.17 -31.52 72.75 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.806 0.442 . . . . 0.0 110.524 173.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.5 t -65.95 -37.67 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -68.36 -35.2 77.38 Favored 'General case' 0 C--O 1.257 1.493 0 CA-C-O 121.704 0.764 . . . . 0.0 110.225 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.83 -42.38 98.96 Favored 'General case' 0 C--O 1.188 -2.16 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 3.9 pp -68.59 -33.57 74.28 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 121.158 0.504 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.3 -24.69 67.74 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.065 0.46 . . . . 0.0 110.718 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.24 16.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.209 -0.932 . . . . 0.0 112.744 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -109.94 -41.01 4.6 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.213 1.005 . . . . 0.0 111.248 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.62 -78.82 0.33 Allowed Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 -175.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.6 m120 50.51 49.03 21.55 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.571 1.148 . . . . 0.0 111.88 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.1 -35.57 79.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.37 -25.51 11.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.522 0.677 . . . . 0.0 110.005 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' OE2' ' HD2' ' A' ' 52' ' ' ARG . 5.5 tp10 -67.8 -35.51 78.78 Favored 'General case' 0 C--O 1.2 -1.517 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.222 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.0 ttpp -55.52 -49.52 72.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.006 0.431 . . . . 0.0 111.197 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.02 79.87 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.022 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.619 ' HD2' ' OE2' ' A' ' 49' ' ' GLU . 44.4 ttm105 -67.15 -40.03 86.63 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.308 0.575 . . . . 0.0 109.472 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.55 -36.79 76.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.311 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.6 mt -64.62 -33.43 75.92 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' THR . 29.0 mmm180 -69.69 -27.87 65.37 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.496 0.665 . . . . 0.0 109.626 176.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 59' ' ' VAL . 38.3 tt0 -70.15 -33.36 71.69 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.398 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.279 3.8 pp -70.81 -30.06 66.4 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 118.662 -1.215 . . . . 0.0 109.709 174.172 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.6 m -61.53 -35.27 77.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.703 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -71.79 -39.54 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 118.297 -1.361 . . . . 0.0 110.256 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.791 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 p -62.14 -29.22 70.19 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.89 1.328 . . . . 0.0 110.798 175.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HB3' ' O ' ' A' ' 58' ' ' THR . 21.1 tt0 -66.03 -39.39 90.15 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 112.569 -2.105 . . . . 0.0 108.193 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.01 85.19 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.936 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.8 m-85 -61.95 -41.71 98.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.31 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 8.0 mm -57.61 -49.52 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.483 175.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.73 -40.98 92.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.994 -174.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.73 96.66 Favored Glycine 0 C--O 1.243 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 50.8 m -69.59 -31.48 69.66 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 115.131 -0.535 . . . . 0.0 110.258 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 50.5 mtm180 -67.55 -38.13 83.7 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.465 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.37 -28.49 73.75 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 174.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . 63.3 t80 -64.65 -46.2 83.51 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -64.67 -39.18 93.22 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.435 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -55.29 -41.07 71.81 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.265 0.353 . . . . 0.0 110.467 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.4 mpt_? -68.32 -37.01 80.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.88 -30.63 71.7 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.261 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.53 -16.47 63.44 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.169 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.77 -6.66 23.38 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.361 0.601 . . . . 0.0 109.715 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' NE ' ' HB2' ' A' ' 79' ' ' ASP . 76.8 ttt180 -65.1 -32.56 74.32 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.094 0.957 . . . . 0.0 111.785 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.4 m 79.03 -26.17 0.18 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.088 0.955 . . . . 0.0 110.655 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HB2' ' NE ' ' A' ' 77' ' ' ARG . 12.9 m-20 -82.58 59.02 4.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.177 0.513 . . . . 0.0 110.121 175.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -156.77 150.74 24.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -128.22 -167.94 1.83 Allowed 'General case' 0 C--N 1.264 -3.127 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.77 -31.27 68.21 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-N 118.783 0.72 . . . . 0.0 111.404 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.75 -49.76 67.26 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 121.586 0.708 . . . . 0.0 112.223 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.79 -39.36 69.95 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.305 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 4.2 tmmm? -63.74 -36.67 84.63 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.565 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -65.28 -33.7 76.6 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.19 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -75.38 -34.04 61.07 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 85' ' ' LYS . 8.9 m-85 -71.7 -39.01 70.48 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -65.45 -33.47 76.01 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.59 65.99 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.214 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.34 -42.46 88.1 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.47 -40.69 87.75 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 122.6 0.36 . . . . 0.0 110.999 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.43 -28.19 63.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.197 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -70.18 -49.65 48.21 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.44 -42.88 88.71 Favored Glycine 0 N--CA 1.422 -2.234 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.155 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.26 -41.12 94.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.917 0.358 . . . . 0.0 111.906 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.44 -43.93 76.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.805 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.48 -26.91 63.83 Favored 'General case' 0 C--O 1.194 -1.841 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.053 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.93 -41.3 97.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -70.38 -31.69 69.04 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 114.164 -1.38 . . . . 0.0 109.935 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.26 -33.52 63.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.447 0.641 . . . . 0.0 110.087 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 105' ' ' LEU . 6.0 tt -60.4 -49.54 77.16 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.456 1.502 . . . . 0.0 109.505 176.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 59.5 mtpt -69.39 -28.25 66.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.35 69.49 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.075 0.464 . . . . 0.0 110.521 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.25 -34.31 72.68 Favored 'General case' 0 C--O 1.191 -1.981 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -58.99 -44.59 91.64 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.179 176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.7 mmtt -66.93 -34.31 77.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -67.5 -46.06 74.0 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 105' ' ' LEU . 49.1 t -71.62 -38.64 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.074 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.17 -44.59 92.15 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.964 0.888 . . . . 0.0 109.573 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.72 -43.87 65.14 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 114.011 -1.45 . . . . 0.0 109.276 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 t 75.3 -26.25 0.19 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.765 1.626 . . . . 0.0 114.578 169.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 119.365 -0.35 . . . . 0.0 110.98 -178.847 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 t30 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -63.03 -49.75 73.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -58.79 -43.48 90.47 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.502 0.668 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -51.46 67.25 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.099 -176.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.81 -34.65 77.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.198 0.523 . . . . 0.0 110.956 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -61.84 -30.79 71.08 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.381 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -104.24 -6.32 21.05 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.79 -1.164 . . . . 0.0 112.637 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 30.4 t-80 -61.84 -38.33 87.82 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.44 -29.97 70.9 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.896 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.52 -34.46 14.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 44.9 tt0 -60.7 -46.66 89.52 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.698 0.761 . . . . 0.0 109.656 175.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 8.4 ptmm? -67.03 -35.46 79.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.134 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 34' ' ' ILE . 39.8 t80 -58.85 -42.45 89.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 6.5 tt -58.09 -47.19 83.96 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 124.452 1.101 . . . . 0.0 109.918 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.2 pp -66.77 -34.78 78.59 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.428 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -60.26 -36.16 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.14 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 72.1 mt -65.14 -45.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -60.54 -45.28 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-O 121.042 0.449 . . . . 0.0 110.066 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -63.96 -31.83 73.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.149 0.5 . . . . 0.0 111.394 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.42 -32.19 69.69 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.725 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' ILE . 94.8 t -63.12 -42.54 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.07 -34.54 78.31 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.455 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.33 -47.69 59.9 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.116 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.5 pp -66.95 -33.86 76.5 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.083 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.8 tm-20 -59.79 -42.97 94.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.643 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -12.34 52.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.166 0.984 . . . . 0.0 110.932 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.7 m -91.55 -47.3 7.49 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.099 -1.41 . . . . 0.0 113.575 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.61 -28.63 0.18 Allowed Glycine 0 C--O 1.218 -0.876 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.716 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 58.56 26.91 14.95 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 125.744 1.617 . . . . 0.0 111.941 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -56.18 -50.69 70.5 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.903 -172.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.56 -15.45 0.17 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.913 0.863 . . . . 0.0 110.616 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -35.77 76.19 Favored 'General case' 0 C--O 1.186 -2.274 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.346 -173.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 21.6 tttm -62.7 -49.16 76.19 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.99 87.05 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.642 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -63.11 -44.34 95.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.194 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.43 -34.96 79.12 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.298 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 69.7 mt -65.39 -34.55 78.56 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.424 0.63 . . . . 0.0 109.541 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.6 mmt180 -70.36 -26.4 63.71 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.393 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.13 -32.57 67.06 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.166 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.2 pp -72.45 -30.94 65.03 Favored 'General case' 0 C--O 1.206 -1.226 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.627 174.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.7 m -66.78 -35.49 80.2 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.607 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ARG . 87.1 t -60.5 -38.83 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.855 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.5 m -64.65 -42.97 95.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.537 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 42.6 mt-10 -59.13 -38.03 78.65 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.12 174.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.82 82.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.742 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.855 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.323 6.9 p90 -73.01 -31.07 64.24 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 118.147 -1.421 . . . . 0.0 111.986 177.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 18.7 mm -58.48 -50.24 79.49 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.188 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.11 -44.86 94.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.911 0.484 . . . . 0.0 111.7 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.43 95.72 Favored Glycine 0 C--O 1.24 0.471 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.649 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 m -70.77 -31.62 68.47 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.554 0.693 . . . . 0.0 109.184 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 58.8 ttt180 -66.59 -46.37 76.18 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.453 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -68.72 -23.38 75.59 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.28 -46.63 60.42 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 26.9 m-85 -65.47 -39.95 92.56 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.78 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 6.5 tp-100 -54.34 -43.28 71.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.879 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.2 mpt_? -65.32 -37.8 88.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 32.9 mt-10 -64.4 -36.19 83.36 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 176.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.66 -20.74 66.41 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.167 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 74.6 mmtt -82.52 -17.2 45.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 10.5 mmm180 -65.92 -55.19 18.17 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m 73.11 -4.2 2.24 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.576 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.71 -22.4 66.97 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.059 0.933 . . . . 0.0 109.996 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 4.8 mp -43.39 171.12 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 128.838 2.855 . . . . 0.0 113.908 172.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.48 170.44 14.21 Favored 'General case' 1 C--N 1.236 -4.35 0 CA-C-N 110.11 -3.223 . . . . 0.0 104.489 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.62 -31.02 61.92 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.553 1.141 . . . . 0.0 110.679 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.29 -49.09 62.89 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.15 77.78 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.441 -177.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 71.4 t80 -64.3 -35.27 80.32 Favored 'General case' 0 C--O 1.2 -1.53 0 CA-C-O 120.867 0.365 . . . . 0.0 111.671 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -75.0 -32.62 61.7 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 123.512 0.725 . . . . 0.0 110.731 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.0 m-85 -73.76 -46.2 47.14 Favored 'General case' 0 CA--C 1.46 -2.49 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.4 pt-20 -67.51 -30.95 70.76 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.06 90.69 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.314 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -71.49 -37.19 71.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.421 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -63.14 -35.59 80.8 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.82 -39.2 73.18 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.171 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.1 m -71.79 -41.64 68.08 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-O 121.66 0.743 . . . . 0.0 109.111 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 -41.14 96.16 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.189 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 25.6 t70 -64.21 -42.61 96.54 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 88.4 mt -64.39 -47.4 79.37 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.352 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -71.51 -27.94 63.56 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.34 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.99 -45.46 77.52 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 11.1 ptmm? -66.65 -32.8 74.35 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.52 177.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.38 -30.89 60.31 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 119.335 -0.946 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.3 mt -60.11 -50.54 73.3 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.16 0.584 . . . . 0.0 109.859 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 16.5 ptmt -71.64 -27.41 63.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.403 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.16 71.04 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 121.224 0.535 . . . . 0.0 110.148 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.04 -34.33 73.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -60.08 -37.69 80.69 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.1 mmtt -65.18 -35.06 79.89 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.4 -46.82 68.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 121.358 0.599 . . . . 0.0 110.046 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 54' ' ' LEU . 60.8 t -65.02 -39.29 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.21 -43.25 99.26 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.992 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.09 -35.63 81.36 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.216 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 t -56.89 -31.49 64.92 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.539 0.735 . . . . 0.0 111.566 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 C--O 1.244 0.805 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.785 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.452 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -63.82 -41.18 97.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.972 0.415 . . . . 0.0 111.741 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.96 -46.47 68.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 p -65.1 -36.8 85.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -68.72 -34.75 76.16 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.0 tpp180 -63.93 -32.41 73.93 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.731 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 21.4 m-85 -113.23 36.28 3.61 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.66 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -77.57 -38.34 48.6 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.777 0.798 . . . . 0.0 109.679 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.88 -34.54 73.69 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.906 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.87 -40.79 86.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -60.28 -43.14 96.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.751 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.42 -44.57 96.1 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.63 -48.3 82.4 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 123.052 0.22 . . . . 0.0 111.453 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.7 -45.22 89.99 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 123.052 0.22 . . . . 0.0 110.467 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.85 -35.66 74.9 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.294 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 43.9 t-80 -60.5 -50.75 72.31 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 57' ' ' LEU . 96.5 mt -63.79 -45.39 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.741 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 20.9 m -63.32 -42.41 99.0 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-O 121.522 0.677 . . . . 0.0 110.065 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.567 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 13.7 t60 -70.62 -31.56 68.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.483 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 42.4 mm-40 -65.92 -31.58 72.6 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.564 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 34' ' ' ILE . 63.4 t -60.34 -40.61 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 53.1 m-20 -61.47 -41.77 97.75 Favored 'General case' 0 C--O 1.259 1.577 0 CA-C-O 122.176 0.988 . . . . 0.0 109.762 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.32 -47.64 67.01 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.237 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.2 pp -68.95 -33.83 74.36 Favored 'General case' 0 N--CA 1.424 -1.764 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.098 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.56 -33.87 76.93 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -11.82 49.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.154 0.978 . . . . 0.0 110.562 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 6.3 m -93.06 -47.27 7.06 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.523 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -27.07 2.86 Favored Glycine 0 C--N 1.308 -0.978 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.37 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 56.4 37.38 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.018 1.727 . . . . 0.0 113.302 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -56.08 -24.27 39.0 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' H ' ' H ' ' A' ' 49' ' ' GLU . 35.7 t70 -156.4 -21.13 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.614 0.721 . . . . 0.0 110.581 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' A' ' 48' ' ' ASP . 26.6 mm-40 -61.4 -37.43 83.42 Favored 'General case' 0 C--O 1.193 -1.883 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.027 -173.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.9 ttpp -68.36 -50.67 51.5 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.369 -0.932 . . . . 0.0 112.764 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.17 81.0 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.762 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 75.7 ttt180 -67.29 -40.11 86.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 34' ' ' ILE . 41.4 tp -65.02 -35.63 81.81 Favored 'General case' 0 N--CA 1.424 -1.727 0 C-N-CA 123.131 0.572 . . . . 0.0 110.975 175.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 89.9 mt -63.13 -32.64 74.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.819 0.818 . . . . 0.0 109.843 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 59' ' ' VAL . 43.7 ttm180 -68.41 -35.06 77.1 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.669 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.6 -40.07 95.75 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.5 pp -71.0 -31.78 68.4 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.668 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.7 m -62.43 -42.41 99.43 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.997 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.6 t -66.57 -41.72 88.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.822 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.4 m -60.48 -40.26 90.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.029 0.919 . . . . 0.0 110.979 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HG3' ' HE3' ' A' ' 103' ' ' LYS . 2.0 tm-20 -66.1 -32.1 73.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.53 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.43 70.64 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.497 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.822 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.367 6.3 p90 -76.52 -30.7 57.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 118.63 -1.228 . . . . 0.0 112.807 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -66.63 -34.76 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.267 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.74 -38.67 89.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.306 0.574 . . . . 0.0 109.459 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.31 90.2 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.95 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -70.44 -32.0 69.4 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.492 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -67.03 -43.27 83.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.077 0.465 . . . . 0.0 109.904 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.95 -23.98 69.79 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.29 -48.21 57.69 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 56.8 m-85 -65.45 -39.36 91.94 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.209 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.0 -42.0 79.48 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.853 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.66 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 10.6 mpt_? -65.8 -39.01 90.5 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.673 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.99 -33.56 74.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.817 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.39 -19.67 65.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.925 0.393 . . . . 0.0 111.329 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -108.14 -5.84 16.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.28 0.562 . . . . 0.0 110.495 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -67.93 -24.41 65.19 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.389 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.5 m 77.46 -31.23 0.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.36 1.064 . . . . 0.0 110.349 -172.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.59 68.06 3.61 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.402 0.62 . . . . 0.0 111.11 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.6 pt? -160.58 146.53 15.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.954 175.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -108.19 171.59 7.32 Favored 'General case' 0 C--N 1.251 -3.678 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.3 pp -53.89 -30.23 45.1 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 118.398 0.545 . . . . 0.0 110.559 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 82' ' ' LEU 0.266 13.9 tp -61.28 -49.3 77.6 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.991 0.901 . . . . 0.0 111.705 177.798 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 40.0 mt-10 -71.24 -40.46 71.03 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.439 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.02 -37.89 75.16 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.64 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.51 -39.76 92.18 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.555 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.51 -35.04 63.18 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.633 0.773 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 7.9 m-85 -69.47 -44.96 70.12 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.04 -32.18 72.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.47 79.8 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.479 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -68.85 -43.87 74.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.024 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 93.1 mt -56.52 -41.64 77.07 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.127 0.171 . . . . 0.0 110.699 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' HD23 ' A' ' 97' ' ' LEU . . . -71.22 -33.3 69.76 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.1 m -69.06 -48.68 62.16 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -64.89 -45.41 92.57 Favored Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.4 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.04 -44.77 94.42 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 93' ' ' ALA . 1.5 pp -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.039 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.2 -26.77 63.09 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.558 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -68.81 -41.78 78.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -68.49 -32.85 73.13 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.291 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.4 -37.28 74.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.411 0.624 . . . . 0.0 110.168 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 105' ' ' LEU . 32.2 tp -60.65 -48.63 80.91 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 125.77 1.628 . . . . 0.0 109.237 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.47 ' HE3' ' HG3' ' A' ' 61' ' ' GLU . 30.3 mmtp -69.2 -33.37 73.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.4 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.99 -39.08 83.32 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.436 0.636 . . . . 0.0 109.518 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.3 -33.23 71.29 Favored 'General case' 0 C--O 1.181 -2.532 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -58.22 -47.69 82.7 Favored 'General case' 0 C--O 1.195 -1.813 0 CA-C-O 119.093 -0.479 . . . . 0.0 111.481 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.04 -32.46 73.95 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.383 0.611 . . . . 0.0 110.772 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 63.2 ttt180 -66.55 -50.02 64.54 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.487 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' SER . 66.2 t -70.74 -37.51 69.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 121.627 0.727 . . . . 0.0 111.727 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -55.88 -38.54 70.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.923 0.889 . . . . 0.0 109.312 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.54 -48.76 10.63 Favored 'General case' 0 N--CA 1.432 -1.346 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.103 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 109' ' ' VAL . 12.6 t 72.1 -30.44 0.21 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.404 1.882 . . . . 0.0 114.473 172.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.253 1.241 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.505 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.662 ' N ' ' HG1' ' A' ' 21' ' ' THR . 41.5 t30 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -70.12 -40.56 74.81 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.907 -0.496 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.68 74.87 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 120.785 0.326 . . . . 0.0 110.371 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.662 ' HG1' ' N ' ' A' ' 18' ' ' ASN . 2.5 m -66.74 -43.28 84.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -36.35 83.62 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.563 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.66 -31.0 71.4 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.802 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -85.95 -8.62 57.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 0.0 111.318 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.98 -22.3 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 20.1 mm-40 -68.24 -31.7 71.37 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.881 0.848 . . . . 0.0 109.143 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 mm -80.52 -34.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.48 -44.77 92.95 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.468 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 62.8 pttt -66.34 -36.96 84.24 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.082 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' O ' HG13 ' A' ' 34' ' ' ILE . 5.8 m-85 -59.38 -43.46 92.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.398 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.91 -47.19 83.54 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 122.942 0.497 . . . . 0.0 110.596 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.78 -35.82 75.21 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.343 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.3 t60 -60.36 -47.02 87.85 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.478 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.1 mt -62.34 -46.21 96.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 123.178 0.299 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 m -60.7 -37.53 81.97 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 121.347 0.594 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -67.45 -38.47 84.54 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 18.6 mm-40 -63.91 -32.94 74.65 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 34' ' ' ILE . 42.0 t -64.67 -46.39 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.09 -39.0 92.56 Favored 'General case' 0 C--O 1.27 2.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.476 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 11.2 t70 -63.96 -47.29 80.99 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.212 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.4 pp -67.54 -34.69 77.59 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 5.2 mm-40 -61.55 -27.56 68.71 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -102.24 -28.58 12.2 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 116.452 -2.099 . . . . 0.0 110.673 174.73 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -69.73 -35.7 75.22 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.999 0.92 . . . . 0.0 113.039 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.6 -56.57 0.18 Allowed Glycine 0 C--N 1.313 -0.709 0 C-N-CA 119.062 -1.542 . . . . 0.0 114.366 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 64.6 t30 74.9 29.08 1.04 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.894 1.278 . . . . 0.0 108.319 -176.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.85 -50.61 61.98 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.667 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -152.1 13.42 0.59 Allowed 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 123.257 1.503 . . . . 0.0 107.215 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -72.13 -35.64 69.16 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 111.767 -2.469 . . . . 0.0 110.725 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 5.6 tptm -63.59 -49.08 74.76 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.81 86.28 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.73 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -59.78 -45.63 91.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.873 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.8 tp -70.07 -32.98 71.34 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-O 121.321 0.582 . . . . 0.0 111.648 -177.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 51.4 mt -67.53 -32.41 73.18 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.962 0.886 . . . . 0.0 110.155 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -67.76 -36.64 80.88 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.1 tp10 -62.54 -40.67 97.55 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.623 176.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -70.38 -30.1 66.92 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.515 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 m -62.06 -36.0 80.31 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -38.42 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -59.88 -42.51 93.92 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.603 0.716 . . . . 0.0 110.36 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 6.9 tp10 -59.17 -40.07 84.47 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.028 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.13 99.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.186 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.857 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.378 7.1 p90 -75.16 -31.63 61.07 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.415 -1.314 . . . . 0.0 113.154 177.011 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -61.67 -42.34 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.218 171.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 54.8 mt-10 -55.34 -45.92 76.4 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.347 0.404 . . . . 0.0 110.469 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.14 96.48 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.612 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 -39.9 68.42 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -69.6 -44.05 71.52 Favored 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.663 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -61.33 -28.59 69.59 Favored Glycine 0 N--CA 1.413 -2.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.373 177.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.3 t80 -67.86 -51.75 44.7 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.1 m-85 -61.32 -38.81 88.23 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.597 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.32 -34.68 75.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.3 mtp180 -69.15 -36.85 77.86 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.468 0.651 . . . . 0.0 109.444 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 13.6 mm-40 -65.66 -30.17 70.83 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.855 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.57 -15.35 63.2 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.224 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 21.1 ptmt -109.08 -5.57 15.95 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 74' ' ' GLU . 11.2 mtm180 -62.16 -18.81 62.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m 73.33 -33.18 0.26 Allowed 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 124.446 1.098 . . . . 0.0 111.217 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 77' ' ' ARG . 18.7 t70 -55.15 -34.3 63.68 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 126.741 2.016 . . . . 0.0 112.914 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -72.02 156.98 38.63 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.753 1.264 . . . . 0.0 110.193 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' ' HG ' ' A' ' 82' ' ' LEU . 13.8 t70 -126.18 -173.7 2.92 Favored 'General case' 1 C--N 1.239 -4.201 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 174.4 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.427 ' HG ' ' OD1' ' A' ' 81' ' ' ASP . 3.3 pp -57.93 -29.16 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -60.98 -50.73 72.2 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 123.519 0.512 . . . . 0.0 111.604 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 45.9 mt-10 -72.46 -41.33 66.2 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.74 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.38 -36.54 73.68 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.924 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 87.1 t80 -64.71 -33.08 75.12 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 121.927 0.87 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -74.44 -38.02 63.12 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 124.989 1.316 . . . . 0.0 108.997 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.3 m-85 -72.65 -44.78 61.42 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.318 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 13.3 pt-20 -65.91 -32.3 73.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.46 80.41 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.58 74.17 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.492 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.9 mt -59.63 -40.58 88.09 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 122.386 0.274 . . . . 0.0 110.391 178.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.71 -31.71 68.67 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.37 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -68.98 -45.46 70.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.79 -39.64 89.87 Favored Glycine 0 N--CA 1.423 -2.232 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.662 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.12 -38.45 78.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 117.277 0.539 . . . . 0.0 110.925 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.2 mt -69.32 -43.38 73.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.955 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.97 -31.17 67.64 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.339 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.1 tt -65.11 -39.83 93.67 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -32.02 66.49 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.14 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.5 -31.2 62.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 118.018 -1.473 . . . . 0.0 108.766 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 105' ' ' LEU . 3.1 tm? -59.86 -50.02 75.44 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.024 1.73 . . . . 0.0 108.869 177.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 34.2 mmtp -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.53 70.83 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -70.57 -35.38 73.03 Favored 'General case' 0 C--O 1.187 -2.234 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 29.7 tt0 -65.62 -37.06 85.51 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 123.327 0.392 . . . . 0.0 110.141 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.0 mmtt -66.62 -35.33 79.93 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 105' ' ' LEU . 77.0 mtm180 -67.91 -39.75 83.53 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 54' ' ' LEU . 71.8 t -65.66 -40.57 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.053 0.454 . . . . 0.0 110.948 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 28.0 mm-40 -63.08 -40.6 98.14 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.24 -16.28 60.96 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.991 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.2 m -72.77 -25.38 61.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.331 0.586 . . . . 0.0 109.548 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.255 1.378 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.387 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -68.89 -24.22 64.29 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.429 0.633 . . . . 0.0 110.152 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 23' ' ' ARG . . . -66.23 -44.04 84.91 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.228 0.537 . . . . 0.0 110.437 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 p -71.77 -34.9 69.84 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.05 -38.14 78.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.094 0.958 . . . . 0.0 109.697 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 1.3 tpm_? -62.69 -48.25 80.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.471 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -97.75 12.3 34.27 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.143 -1.023 . . . . 0.0 112.451 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.435 ' O ' ' HB3' ' A' ' 28' ' ' GLU . 55.3 t60 -68.75 -33.29 73.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.075 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 36.4 mt-10 -62.69 -42.33 99.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.783 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 2.6 mp -69.55 -34.07 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.596 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' HIS . 18.8 tt0 -58.65 -45.63 88.9 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.436 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.08 -38.81 89.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.288 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 17.3 m-85 -58.45 -48.31 81.16 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 175.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 75.2 mt -61.71 -42.65 99.23 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -70.05 -38.45 75.81 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.961 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 32' ' ' LEU . 8.7 t-160 -63.67 -41.68 98.15 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.014 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 62.2 mt -65.12 -43.33 95.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 C-N-CA 123.03 0.532 . . . . 0.0 111.246 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -62.17 -41.7 98.57 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 121.504 0.669 . . . . 0.0 109.423 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -66.48 -37.95 86.22 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.571 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.4 tp10 -60.51 -45.02 95.35 Favored 'General case' 0 C--O 1.188 -2.135 0 C-N-CA 124.321 1.048 . . . . 0.0 108.975 178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' ILE . 87.7 t -58.64 -40.83 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 C-N-CA 124.172 0.989 . . . . 0.0 109.521 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 13.6 t70 -68.2 -38.27 81.79 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.034 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.44 -30.05 61.73 Favored 'General case' 0 C--O 1.192 -1.954 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.634 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 50.3 mt -68.32 -40.8 81.51 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 34.9 tt0 -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.344 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -87.74 -15.8 36.01 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.621 1.569 . . . . 0.0 110.717 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -113.0 -50.47 2.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.03 -65.44 0.05 OUTLIER Glycine 0 C--N 1.294 -1.801 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t30 72.32 18.47 4.62 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 122.651 1.215 . . . . 0.0 108.874 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 7.3 mtmp? -67.71 -49.8 60.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.446 -175.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.83 -23.47 0.94 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.423 -171.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.94 -36.11 78.48 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -62.2 -47.44 84.46 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -177.57 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.39 96.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.143 0.497 . . . . 0.0 110.748 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -68.24 -38.61 81.99 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.801 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD11 HG12 ' A' ' 34' ' ' ILE . 50.9 tp -64.02 -37.29 86.91 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.018 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 50' ' ' LYS . 20.6 mt -65.39 -33.41 75.9 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.504 0.669 . . . . 0.0 111.068 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.2 mtp180 -66.23 -36.23 82.47 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -64.73 -35.65 81.75 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.136 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HA ' ' OG ' ' A' ' 60' ' ' SER 0.321 2.8 pp -74.13 -30.81 62.48 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 119.12 -1.032 . . . . 0.0 111.199 174.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 11.3 m -62.53 -34.97 77.97 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-O 121.966 0.888 . . . . 0.0 109.314 175.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' ARG . 60.0 t -71.16 -45.86 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.241 176.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.801 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 2.6 p -62.7 -29.68 70.84 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 122.697 1.237 . . . . 0.0 111.364 176.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' THR . 35.0 tt0 -65.15 -40.72 94.78 Favored 'General case' 0 C--N 1.28 -2.425 0 CA-C-N 112.702 -2.044 . . . . 0.0 108.184 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.13 71.08 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.956 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.801 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.4 m-85 -67.07 -42.94 83.85 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.63 -50.84 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 123.172 0.295 . . . . 0.0 110.542 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.63 -41.81 83.3 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.96 87.89 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.33 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.6 t -70.21 -32.3 70.13 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' A' ' 96' ' ' ASP . 14.7 mtp180 -69.04 -34.04 74.56 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.772 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -66.41 -27.0 72.81 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 173.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' SER . 48.4 t80 -69.99 -46.38 65.28 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -62.89 -38.38 90.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.399 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 96.6 mt-30 -59.54 -38.76 81.9 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.0 mmm180 -69.47 -33.25 72.63 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.15 0.5 . . . . 0.0 110.073 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.72 -31.96 72.25 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.402 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.6 mt -71.12 -15.94 62.53 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 31.1 mmmt -93.31 -6.55 47.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 0.0 110.56 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 79' ' ' ASP . 47.9 mtp180 -56.28 -40.28 74.01 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m 74.11 -38.24 0.39 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.386 1.074 . . . . 0.0 109.259 -171.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 29.9 t70 -86.72 77.1 9.39 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.824 0.821 . . . . 0.0 109.675 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -151.15 157.91 43.31 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -130.11 -178.29 4.67 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -55.17 -31.04 61.05 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 118.566 0.621 . . . . 0.0 110.989 179.234 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.64 -48.47 79.37 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 123.938 0.895 . . . . 0.0 112.154 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.8 mm-40 -70.4 -45.07 66.67 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.992 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -56.13 -38.24 70.55 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.068 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.44 -36.73 85.11 Favored 'General case' 0 C--O 1.187 -2.202 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -73.7 -35.42 65.13 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 122.798 0.439 . . . . 0.0 110.427 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.688 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.0 m-85 -75.52 -46.29 33.07 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.86 -31.67 72.44 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.44 -40.88 73.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.567 -1.253 . . . . 0.0 110.371 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.56 69.64 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.478 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 78.8 mt -58.88 -43.18 90.86 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -68.17 -36.9 80.35 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.436 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.8 m -68.92 -46.43 68.31 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.07 -43.95 96.52 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.904 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.504 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 37.8 t70 -66.52 -37.55 85.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.129 0.464 . . . . 0.0 111.867 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 70.5 mt -64.76 -49.47 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.7 -27.32 63.9 Favored 'General case' 0 C--O 1.191 -1.981 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.244 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.95 -41.98 77.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 97' ' ' LEU . 18.1 ptmt -71.27 -31.85 67.98 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.42 -33.09 69.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.308 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.499 HD21 HD13 ' A' ' 57' ' ' LEU . 6.9 tt -60.72 -50.31 74.0 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.331 1.452 . . . . 0.0 109.649 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -61.63 -39.54 91.69 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.42 78.54 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.5 -36.89 74.05 Favored 'General case' 0 C--O 1.172 -3.007 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.43 -44.63 95.57 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.232 0.613 . . . . 0.0 111.637 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.72 -33.65 76.1 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.366 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -69.1 -46.55 67.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.945 0.879 . . . . 0.0 109.444 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 50' ' ' LYS . 42.2 t -65.02 -39.85 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.729 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -64.85 -36.67 85.08 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.68 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.02 -30.78 70.96 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.058 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.8 m -59.28 -26.37 64.88 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.367 178.025 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -61.9 -49.34 76.6 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.046 0.451 . . . . 0.0 111.746 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.19 67.92 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.771 0.796 . . . . 0.0 111.611 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -72.41 -28.5 63.01 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.284 -175.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.88 -37.91 87.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.73 -29.07 64.13 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.075 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.95 21.49 13.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.857 0.837 . . . . 0.0 110.123 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -85.35 -18.77 32.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.296 0.57 . . . . 0.0 109.712 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.203 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.412 HG21 HD11 ' A' ' 64' ' ' ILE . 7.8 tp -72.13 -33.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.538 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -47.74 84.31 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.653 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.28 -35.86 81.47 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.331 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.8 t80 -65.11 -46.2 82.02 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 32' ' ' LEU . 3.8 pp -67.78 -35.85 79.42 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 31' ' ' LEU . 4.4 pp -70.26 -35.35 73.71 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.38 -0.928 . . . . 0.0 110.393 176.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 51.1 t-80 -62.17 -39.55 93.01 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.366 175.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 30' ' ' PHE . 55.9 mt -61.58 -40.72 87.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 C-N-CA 123.014 0.525 . . . . 0.0 110.374 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -63.25 -41.5 99.06 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.377 0.608 . . . . 0.0 109.535 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -69.69 -33.54 72.67 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.908 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 32.9 mm-40 -63.45 -32.35 73.76 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.0 t -64.0 -50.55 76.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -60.7 -42.86 98.04 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.095 0.95 . . . . 0.0 110.143 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 44' ' ' THR . 39.1 t70 -63.42 -47.44 81.96 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.573 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -66.94 -33.96 76.73 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 123.021 0.2 . . . . 0.0 110.764 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.14 -39.26 81.85 Favored 'General case' 0 N--CA 1.431 -1.377 0 O-C-N 123.702 0.626 . . . . 0.0 112.507 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -93.98 -23.61 17.98 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 115.861 -2.336 . . . . 0.0 111.04 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 2.9 m -84.55 -29.64 25.73 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.94 -56.74 0.18 Allowed Glycine 0 C--N 1.316 -0.558 0 C-N-CA 118.323 -1.894 . . . . 0.0 114.322 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 2.6 p-10 59.45 24.4 13.04 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 125.82 1.648 . . . . 0.0 112.01 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -56.38 -50.11 72.52 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.444 1.097 . . . . 0.0 112.057 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -138.2 -4.02 1.72 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 46' ' ' ASN . 16.8 mt-10 -63.04 -35.22 79.52 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 112.641 -2.072 . . . . 0.0 112.073 -170.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 12.5 tptm -62.25 -50.0 73.47 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -41.6 84.73 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.279 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 49' ' ' GLU . 19.0 ttm180 -59.84 -44.27 94.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.195 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.3 tp -70.47 -34.19 72.11 Favored 'General case' 0 N--CA 1.41 -2.433 0 CA-C-O 121.242 0.544 . . . . 0.0 111.336 -177.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 61.5 mt -68.24 -33.44 74.41 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.079 175.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.2 tpt180 -69.71 -32.26 70.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.4 tp10 -62.11 -38.88 90.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.125 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.3 pp -72.98 -33.13 65.63 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.755 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.5 m -62.33 -37.01 83.97 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 121.766 0.793 . . . . 0.0 109.896 175.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' ARG . 67.6 t -70.97 -43.45 76.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.074 0.464 . . . . 0.0 109.755 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.827 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 31.0 p -63.54 -29.6 70.84 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.98 1.371 . . . . 0.0 110.984 177.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 58' ' ' THR . 32.4 tt0 -67.24 -38.05 84.54 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.719 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.91 -31.83 72.69 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.282 177.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.827 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.3 m-85 -65.74 -37.53 86.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 175.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 27' ' ' ILE . 14.4 mm -61.92 -43.42 97.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.731 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.52 -38.11 86.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.992 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.37 85.47 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.123 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 12.6 p -73.61 -36.62 65.51 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.376 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -69.48 -33.81 73.43 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.501 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.48 73.51 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' SER . 40.8 t80 -67.67 -48.92 65.26 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.1 m-85 -60.65 -39.15 87.28 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.313 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.32 -49.13 77.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -71.82 -31.95 67.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 117.577 -1.649 . . . . 0.0 111.875 177.087 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp10 -67.0 -29.29 69.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.292 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.76 -18.61 65.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.336 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -91.99 -6.85 50.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.857 0.463 . . . . 0.0 112.115 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.3 mmt180 -64.38 -30.74 71.77 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m 73.35 -17.95 0.4 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 124.325 1.05 . . . . 0.0 111.549 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 10.8 m-20 -60.17 -41.8 93.6 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.914 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD13 ' HE2' ' A' ' 88' ' ' PHE . 2.4 pt? -60.52 152.0 27.07 Favored 'General case' 0 CA--C 1.483 -1.603 0 CA-C-O 123.098 1.428 . . . . 0.0 109.113 175.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -109.44 176.2 5.17 Favored 'General case' 1 C--N 1.215 -5.282 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.5 -30.77 63.38 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.309 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.6 mm-40 -73.09 -32.3 64.91 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 121.361 0.6 . . . . 0.0 111.373 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' HB2' HD12 ' A' ' 80' ' ' LEU . 37.9 ttmt -58.04 -37.03 73.6 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -67.6 -32.42 73.13 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.407 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -73.33 -42.0 62.82 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 125.932 1.693 . . . . 0.0 108.218 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.1 m-85 -73.51 -36.33 65.73 Favored 'General case' 0 CA--C 1.476 -1.903 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.78 -37.92 89.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.55 67.38 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.137 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.41 88.46 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.716 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -60.81 -40.04 91.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.48 -26.9 61.98 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 123.668 0.605 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 m -72.64 -49.63 30.51 Favored 'General case' 0 N--CA 1.421 -1.88 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.92 -41.1 95.59 Favored Glycine 0 C--O 1.204 -1.741 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.93 -46.21 79.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.726 0.298 . . . . 0.0 111.063 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.19 -39.89 78.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.98 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.6 pp -71.63 -27.58 63.19 Favored 'General case' 0 C--O 1.203 -1.365 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.668 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.35 -40.44 93.62 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -66.35 -33.11 74.99 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.433 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.34 -34.9 65.88 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 95.0 mt -58.48 -50.05 75.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.263 0.625 . . . . 0.0 109.614 175.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -65.96 -30.61 71.2 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.304 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.15 -44.75 64.91 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -69.82 -33.98 73.05 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -42.62 95.54 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.925 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.77 81.07 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -68.89 -45.97 69.59 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 122.848 0.459 . . . . 0.0 109.85 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 105' ' ' LEU . 57.7 t -67.39 -39.65 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.283 0.563 . . . . 0.0 109.911 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -61.8 -33.25 73.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.182 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.93 -31.78 61.61 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.701 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -64.05 -26.02 68.37 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.651 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.322 179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.447 0 CA-C-O 121.25 0.548 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -69.48 -38.18 77.58 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.45 -39.67 94.14 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -62.6 -45.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.038 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' HG13 ' A' ' 64' ' ' ILE . 19.4 m-85 -99.41 10.73 40.85 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.858 -1.137 . . . . 0.0 113.505 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 85.1 t60 -69.23 -18.99 63.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.126 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.69 -45.13 87.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.794 0.807 . . . . 0.0 109.238 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 27' ' ' ILE . 3.0 mp -74.09 -33.49 35.75 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 31' ' ' LEU . 39.1 tt0 -59.76 -36.2 76.16 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.574 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 29.7 mtpp -64.29 -44.52 91.41 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.95 -40.88 86.02 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.611 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 28' ' ' GLU . 96.5 mt -58.07 -47.91 81.73 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.483 0.182 . . . . 0.0 111.212 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -69.61 -37.22 76.79 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.748 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 58.3 t60 -65.17 -48.19 74.35 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.348 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 38' ' ' VAL . 67.7 mt -67.2 -40.7 85.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 122.693 0.397 . . . . 0.0 111.701 -175.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -62.25 -43.85 97.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -60.26 -45.71 92.36 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.35 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 30.4 mm-40 -62.08 -32.9 73.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.766 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 89.4 t -63.06 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.35 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.75 -44.0 97.76 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.31 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 25.1 t70 -60.61 -47.95 83.96 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.927 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.3 -34.65 76.53 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.695 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 52.8 mt-10 -61.81 -30.04 70.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -103.66 -13.52 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 118.956 -1.098 . . . . 0.0 111.649 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -94.17 -41.62 9.4 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.529 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.13 -68.4 0.02 OUTLIER Glycine 0 C--N 1.314 -0.651 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.237 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 t30 75.73 13.24 2.9 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.633 1.173 . . . . 0.0 109.363 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.93 -50.32 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.039 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -146.74 -18.26 0.42 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.784 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.62 -35.49 76.29 Favored 'General case' 0 C--O 1.195 -1.771 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.832 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.9 tptt -58.56 -51.02 71.66 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 123.8 0.687 . . . . 0.0 110.33 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -43.64 84.39 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -61.0 -44.89 96.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.505 178.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.88 -37.39 87.2 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-O 121.188 0.518 . . . . 0.0 111.518 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.493 HD21 ' HB ' ' A' ' 109' ' ' VAL . 73.9 mt -64.58 -33.14 75.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.52 0.676 . . . . 0.0 110.819 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.7 mmt180 -69.71 -29.81 67.3 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.471 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.55 -35.87 78.01 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.7 pp -70.26 -30.59 67.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.271 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 51.3 m -62.68 -40.67 97.84 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.209 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.8 t -66.39 -40.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.798 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 27.1 m -59.31 -48.81 80.24 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.895 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.27 -30.41 71.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.705 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.76 87.42 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.798 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.262 10.0 p90 -76.57 -34.8 58.45 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.265 -1.374 . . . . 0.0 111.736 -178.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.436 HG13 ' CE1' ' A' ' 24' ' ' PHE . 12.2 tt -68.24 -36.44 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 119.186 -1.006 . . . . 0.0 111.405 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.48 -37.93 89.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.75 -42.8 98.47 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -68.4 -31.16 70.32 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 122.257 -0.555 . . . . 0.0 110.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -40.54 89.72 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 121.093 0.473 . . . . 0.0 109.787 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -62.81 -27.7 70.53 Favored Glycine 0 N--CA 1.424 -2.156 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.892 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -71.03 -41.88 70.26 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -65.09 -39.72 93.58 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.346 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.12 -35.78 74.05 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.502 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.566 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.88 -43.73 71.22 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' HB2' ' A' ' 77' ' ' ARG . 25.6 mt-10 -63.95 -29.39 70.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 0.0 112.296 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.4 tt -60.25 -25.21 65.49 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.082 0.953 . . . . 0.0 109.655 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -102.38 -6.79 22.62 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 75.6 ttt180 -66.04 -22.9 66.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.611 0.765 . . . . 0.0 113.056 -171.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m 73.35 -32.68 0.25 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.668 0.787 . . . . 0.0 110.564 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 27.4 t70 -83.29 67.86 9.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.546 1.165 . . . . 0.0 109.446 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -155.07 153.23 30.58 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.97 173.04 6.52 Favored 'General case' 1 C--N 1.24 -4.155 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.1 pp -55.42 -30.03 59.69 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.291 0.496 . . . . 0.0 109.875 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 82' ' ' LEU . 3.0 tm? -57.69 -49.98 74.72 Favored 'General case' 0 CA--C 1.512 -0.515 0 C-N-CA 124.303 1.041 . . . . 0.0 109.833 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 42.2 mt-10 -71.79 -37.13 70.47 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.269 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -59.37 -39.76 84.31 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.044 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.12 -32.51 74.24 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.363 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -36.81 69.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.601 0.761 . . . . 0.0 109.883 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.2 m-85 -71.11 -45.87 62.82 Favored 'General case' 0 CA--C 1.466 -2.256 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.14 -33.3 75.47 Favored 'General case' 0 N--CA 1.423 -1.817 0 O-C-N 123.751 0.657 . . . . 0.0 110.264 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.68 -44.8 63.6 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.127 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.11 74.08 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.206 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -61.95 -38.96 90.46 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.51 71.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.233 0.333 . . . . 0.0 110.666 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.49 -46.53 69.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.22 0.534 . . . . 0.0 110.069 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.62 89.46 Favored Glycine 0 N--CA 1.416 -2.639 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.631 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.26 -46.19 87.97 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.681 0.24 . . . . 0.0 111.179 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.93 -45.74 87.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.02 -28.23 64.25 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.893 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.88 -36.97 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -65.94 -33.42 75.79 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.069 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.42 -38.96 68.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.004 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.3 mt -54.81 -49.94 69.75 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 123.771 0.828 . . . . 0.0 110.146 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.25 -35.95 78.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.21 76.24 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.68 -34.53 72.09 Favored 'General case' 0 N--CA 1.428 -1.534 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.25 -46.83 87.46 Favored 'General case' 0 C--O 1.184 -2.358 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 176.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -67.99 -48.04 66.88 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.493 ' HB ' HD21 ' A' ' 54' ' ' LEU . 60.5 t -67.35 -39.75 83.38 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-O 121.184 0.516 . . . . 0.0 110.304 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.28 -33.3 72.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.455 1.502 . . . . 0.0 108.861 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.14 -32.77 59.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.785 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.301 -1.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.062 177.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -62.73 -43.65 98.25 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 122.943 0.497 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.97 -35.94 82.8 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.462 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -70.54 -27.97 64.56 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.059 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' A' ' 71' ' ' PHE . 4.8 m-30 -90.24 -11.51 40.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.461 0.648 . . . . 0.0 110.966 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -71.15 -16.05 62.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.5 -42.78 98.5 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.358 173.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.25 -34.05 36.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.239 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.14 -45.62 90.48 Favored 'General case' 0 C--O 1.25 1.124 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.289 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 32' ' ' LEU 0.283 22.3 pttp -66.73 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.223 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 14.4 m-85 -58.31 -45.33 88.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.728 0.299 . . . . 0.0 110.634 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.47 -44.76 92.94 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.345 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.5 pp -69.68 -35.26 74.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.553 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -59.27 -41.81 89.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.741 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.3 mt -65.76 -46.72 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.171 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.1 m -61.23 -41.0 96.11 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.83 -46.5 89.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.827 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -31.89 73.08 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.604 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.2 t -59.04 -44.96 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.594 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 19.9 t70 -67.88 -43.99 78.07 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 118.509 -1.276 . . . . 0.0 110.443 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.08 -45.4 93.04 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.621 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD11 ' HD3' ' A' ' 50' ' ' LYS . 4.5 pp -65.66 -35.54 81.09 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -176.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.3 mm-40 -63.16 -28.95 70.41 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.892 0.377 . . . . 0.0 110.47 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 28.5 mmtp -92.27 -29.46 16.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.277 1.037 . . . . 0.0 110.15 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 m -86.57 -0.56 56.39 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 113.679 -1.601 . . . . 0.0 111.317 -176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.64 -39.2 2.63 Favored Glycine 0 C--N 1.312 -0.753 0 C-N-CA 118.608 -1.758 . . . . 0.0 114.689 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' OD1' ' HE2' ' A' ' 50' ' ' LYS . 35.1 t30 67.65 40.62 2.46 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 122.443 1.116 . . . . 0.0 109.794 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.22 -48.61 67.33 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.309 -0.869 . . . . 0.0 112.566 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -155.7 -3.68 0.13 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.069 0.462 . . . . 0.0 110.875 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.15 -37.21 84.33 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.876 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.8 ttpt -62.05 -49.86 74.28 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 121.467 0.651 . . . . 0.0 111.399 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -58.66 -44.76 90.23 Favored 'General case' 0 C--N 1.274 -2.694 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.48 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 mtm105 -66.66 -40.5 88.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.018 0.437 . . . . 0.0 111.885 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HA ' ' A' ' 34' ' ' ILE . 46.2 tp -62.22 -36.65 82.6 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 121.53 0.681 . . . . 0.0 111.408 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.7 mt -63.79 -33.64 76.13 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.29 0.567 . . . . 0.0 109.659 174.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 30.3 mmt180 -68.92 -27.92 66.2 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 40.5 tt0 -65.76 -40.35 91.98 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.693 176.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.4 pp -72.65 -31.72 65.32 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.105 177.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.7 m -62.19 -46.97 86.57 Favored 'General case' 0 C--O 1.253 1.261 0 CA-C-O 122.069 0.938 . . . . 0.0 110.168 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 63' ' ' PHE . 10.5 p -65.66 -37.09 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.402 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.795 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 50.5 m -59.25 -29.91 67.89 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 121.528 0.68 . . . . 0.0 112.018 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 52.7 mt-10 -69.48 -39.43 77.69 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.07 75.11 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.218 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.795 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 2.6 m-85 -67.74 -44.03 78.53 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 19.0 mm -58.8 -49.57 82.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 O-C-N 123.355 0.409 . . . . 0.0 111.253 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.7 -34.56 78.6 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.044 0.45 . . . . 0.0 111.848 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.03 -41.28 48.74 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.237 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.1 p -71.79 -31.58 66.75 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 122.572 -0.37 . . . . 0.0 110.467 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 66.9 mtp180 -64.22 -44.25 92.48 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.916 174.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.665 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.2 -24.7 72.07 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 175.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' A' ' 67' ' ' SER . 60.5 t80 -70.63 -51.5 27.62 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 37.4 m-85 -63.49 -39.54 94.72 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.247 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 22.5 mt-30 -60.99 -38.15 84.96 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.1 mpt_? -70.61 -32.51 69.89 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 120.881 0.372 . . . . 0.0 111.933 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 8.9 mm-40 -63.21 -31.35 72.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.044 0.45 . . . . 0.0 110.645 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.27 -21.13 64.96 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.173 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -86.58 -7.17 58.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.886 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.4 -33.09 64.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.856 0.36 . . . . 0.0 111.332 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 m 73.81 -5.91 1.92 Allowed 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 123.941 0.896 . . . . 0.0 111.176 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -64.59 -36.32 83.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.804 0.812 . . . . 0.0 110.032 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -62.62 168.21 3.89 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 123.342 1.544 . . . . 0.0 110.854 176.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.84 -163.55 1.33 Allowed 'General case' 1 C--N 1.237 -4.312 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 -29.38 70.63 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 119.001 0.819 . . . . 0.0 110.832 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -49.69 74.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.795 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 13.5 mm-40 -71.8 -34.16 69.14 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.842 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 26.9 ttpp -57.28 -43.25 82.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.66 -33.5 74.07 Favored 'General case' 0 C--O 1.196 -1.741 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.226 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -73.53 -35.13 65.52 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 123.692 0.797 . . . . 0.0 110.087 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.653 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.0 m-85 -70.46 -45.71 65.24 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 48.5 mt-10 -65.33 -33.04 75.03 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.902 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.39 76.98 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.369 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -65.68 -43.06 90.38 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.573 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 75.2 mt -58.63 -39.82 81.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -35.68 66.3 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.823 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.9 m -69.55 -45.5 68.61 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.58 -36.07 87.48 Favored Glycine 0 N--CA 1.415 -2.733 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.867 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.79 -42.92 69.69 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.07 -45.78 80.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -70.9 -26.0 63.03 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.9 tt -68.12 -39.94 82.62 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.85 -33.58 76.18 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.081 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.36 -35.53 68.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.667 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.4 mt -60.9 -48.09 83.39 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 123.766 0.827 . . . . 0.0 109.68 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HE2' ' CD2' ' A' ' 99' ' ' LEU . 66.9 mttm -66.08 -35.0 79.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.41 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.98 70.38 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.254 0.55 . . . . 0.0 109.82 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -69.89 -33.28 71.99 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.36 -46.35 88.89 Favored 'General case' 0 C--O 1.19 -2.051 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.616 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -37.41 87.07 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.986 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -68.45 -43.31 77.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.721 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.33 -39.51 72.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 CA-C-O 121.016 0.436 . . . . 0.0 110.705 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.67 -46.81 87.91 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.378 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.7 -50.58 14.94 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.476 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 129.124 2.969 . . . . 0.0 118.013 177.717 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.101 0.477 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -66.35 -32.31 73.63 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.811 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.58 -40.42 92.73 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 23' ' ' ARG . 1.5 tpm_? -68.47 -26.54 65.54 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.483 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 7.0 m-85 -99.51 17.41 20.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.663 -0.815 . . . . 0.0 112.513 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -63.95 -30.96 71.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.0 mt-10 -68.93 -32.79 72.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.175 0.512 . . . . 0.0 110.666 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 98' ' ' LEU . 27.0 mm -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.47 -47.23 86.29 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.291 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 64.3 pttt -62.95 -38.87 92.81 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.986 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -58.6 -48.37 81.19 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.51 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.66 -47.71 85.02 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 123.391 0.432 . . . . 0.0 111.519 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.3 pp -70.17 -35.53 74.05 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.111 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 32' ' ' LEU . 58.5 t-80 -60.79 -49.17 78.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 123.912 0.885 . . . . 0.0 109.807 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.6 mt -62.22 -42.93 97.14 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.795 0 O-C-N 124.207 0.942 . . . . 0.0 110.686 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.447 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 15.5 m -60.46 -47.9 84.1 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.24 0.543 . . . . 0.0 111.228 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.69 -33.0 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.65 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 22.8 tt0 -68.47 -30.95 69.91 Favored 'General case' 0 C--O 1.196 -1.725 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.559 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 t -61.08 -47.14 94.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.55 -38.31 89.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.246 0.966 . . . . 0.0 110.899 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.75 -47.99 82.72 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.77 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 35.6 mt -61.99 -43.39 98.94 Favored 'General case' 0 CA--C 1.47 -2.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 46' ' ' ASN . 28.4 tt0 -60.28 -34.34 73.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.815 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -98.24 -17.86 18.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.661 0.744 . . . . 0.0 110.142 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.4 m -82.23 -28.85 31.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.751 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -61.28 0.1 OUTLIER Glycine 0 CA--C 1.493 -1.342 0 C-N-CA 119.606 -1.283 . . . . 0.0 111.945 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 5.3 t30 76.36 24.42 1.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.142 1.377 . . . . 0.0 108.11 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -68.53 -52.06 36.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.065 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.1 p-10 -157.72 12.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 123.245 1.498 . . . . 0.0 107.747 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 41' ' ' LEU . 20.4 mt-10 -72.09 -35.01 69.1 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 112.528 -2.124 . . . . 0.0 109.491 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 16.8 tptt -58.44 -48.6 80.18 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -60.3 -43.9 95.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.263 -1.335 . . . . 0.0 110.914 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 90.6 mtt180 -62.05 -45.33 94.04 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.808 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.5 tp -64.27 -36.35 83.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 121.582 0.706 . . . . 0.0 111.004 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 72.8 mt -65.4 -32.76 74.56 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.223 0.535 . . . . 0.0 110.595 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 89.3 mtt180 -67.28 -35.22 79.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 10.1 tp10 -61.84 -42.56 99.18 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.029 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.0 pp -69.2 -29.94 68.01 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 109.981 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 41.8 m -63.1 -41.32 99.36 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.209 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.76 -38.42 82.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.851 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.6 m -59.36 -43.14 92.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.091 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -69.45 -29.92 67.72 Favored 'General case' 0 C--O 1.211 -0.929 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.458 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.96 90.57 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 111.495 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.326 10.1 p90 -74.66 -30.45 61.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.289 -1.364 . . . . 0.0 112.217 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -63.46 -35.01 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 50.9 mt-10 -60.27 -45.17 94.26 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.62 85.12 Favored Glycine 0 C--O 1.246 0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.054 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -65.93 -37.75 86.88 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 67.1 ttt180 -68.16 -45.12 74.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.227 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -63.97 -27.06 70.76 Favored Glycine 0 N--CA 1.43 -1.716 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -71.04 -43.75 67.24 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 47.8 m-85 -61.65 -40.06 93.57 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 111.255 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 90.2 mt-30 -62.16 -41.66 98.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.482 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.6 mpt_? -69.93 -32.87 71.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.943 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 13.8 mm-40 -59.95 -30.3 68.99 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.221 0.608 . . . . 0.0 111.339 173.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.52 -16.64 62.89 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.003 0.43 . . . . 0.0 111.15 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -100.64 -5.09 27.16 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.747 0.819 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -53.14 -20.77 4.12 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.107 1.363 . . . . 0.0 113.284 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m 76.0 -42.74 0.46 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 110.766 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.19 90.57 4.4 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.876 0.846 . . . . 0.0 109.645 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -163.5 149.02 11.26 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 104.57 -2.382 . . . . 0.0 104.57 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.46 -162.31 1.1 Allowed 'General case' 0 C--N 1.253 -3.611 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.5 -30.79 69.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 118.184 0.447 . . . . 0.0 111.644 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -49.79 65.64 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 120.952 0.406 . . . . 0.0 110.555 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.7 mp0 -70.54 -43.77 68.87 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.412 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -56.46 -43.79 79.88 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.256 1.022 . . . . 0.0 109.552 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.95 -32.69 72.46 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.875 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.43 -38.2 71.39 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 124.903 1.281 . . . . 0.0 110.148 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.8 m-85 -71.95 -46.79 56.2 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 -31.65 70.95 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.368 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.11 70.08 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 118.502 -1.279 . . . . 0.0 110.192 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -71.53 -38.13 71.09 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.44 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 97.3 mt -59.14 -37.15 76.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.82 64.67 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.895 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -68.69 -42.97 77.06 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.97 -35.81 90.01 Favored Glycine 0 N--CA 1.425 -2.033 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.514 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 23.1 t70 -67.84 -45.7 73.9 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.834 0.317 . . . . 0.0 110.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.2 -44.86 86.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.41 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD13 HG21 ' A' ' 27' ' ' ILE . 4.5 pp -70.03 -26.7 64.17 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.244 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.3 tt -67.89 -36.62 80.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 7.4 mtpm? -68.66 -33.32 73.8 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.539 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.33 -39.1 89.02 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.897 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 105' ' ' LEU . 96.1 mt -58.08 -50.22 74.23 Favored 'General case' 0 N--CA 1.46 0.055 0 O-C-N 123.894 0.746 . . . . 0.0 110.455 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.54 -32.98 68.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.74 72.64 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.31 -34.7 73.02 Favored 'General case' 0 C--O 1.175 -2.831 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.33 -42.67 92.0 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.502 0.501 . . . . 0.0 109.737 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -37.11 80.34 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.286 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' ASP . 50.8 mtm180 -68.39 -42.92 78.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.888 0.851 . . . . 0.0 109.65 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' A' ' 50' ' ' LYS . 87.6 t -69.62 -39.53 78.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.825 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.675 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -59.61 -38.21 80.66 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' ARG . 13.0 t70 -68.35 -29.91 68.75 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.56 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.44 -0.934 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 C--O 1.243 0.753 0 CA-C-O 121.603 0.716 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -70.57 -38.0 74.04 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.947 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -62.34 -40.06 95.12 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -62.77 -38.75 91.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.699 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -91.07 -1.66 57.75 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.944 -1.102 . . . . 0.0 112.58 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -74.09 -21.38 59.93 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.45 -44.82 77.72 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.304 1.049 . . . . 0.0 108.315 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.63 -34.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.93 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 35.7 tt0 -59.57 -35.59 74.58 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.186 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -66.14 -39.78 90.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.867 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -58.61 -45.88 88.21 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.281 0.562 . . . . 0.0 109.641 171.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 2.6 tm? -57.57 -48.47 79.25 Favored 'General case' 0 C--O 1.252 1.219 0 C-N-CA 124.689 1.196 . . . . 0.0 111.065 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.34 -35.69 73.76 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.454 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 9.4 t-80 -64.14 -42.73 96.67 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.001 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.0 mt -62.68 -45.44 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 117.719 0.236 . . . . 0.0 110.544 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -63.95 -44.22 93.47 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-O 121.466 0.65 . . . . 0.0 110.353 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 49.9 t-80 -66.79 -31.4 72.01 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.33 0.586 . . . . 0.0 110.133 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.3 tp10 -65.74 -33.88 76.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 34' ' ' ILE . 58.2 t -64.08 -38.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 5.1 m-20 -60.28 -45.4 93.47 Favored 'General case' 0 C--O 1.265 1.912 0 CA-C-O 122.452 1.12 . . . . 0.0 110.613 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.4 -47.63 59.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.61 -172.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.07 -34.14 75.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 123.398 0.436 . . . . 0.0 110.495 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 41' ' ' LEU . 38.0 tt0 -61.53 -42.9 99.51 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 123.684 0.615 . . . . 0.0 110.77 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -81.62 -13.13 58.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.027 -1.069 . . . . 0.0 109.772 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 40.8 m -95.16 -4.29 46.32 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.319 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.12 -51.4 0.75 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.06 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.6 t30 71.6 73.43 0.17 Allowed 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 124.224 1.01 . . . . 0.0 110.916 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.254 34.2 mmtp -71.79 -48.65 45.09 Favored 'General case' 0 C--N 1.283 -2.31 0 C-N-CA 118.717 -1.193 . . . . 0.0 112.876 171.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -146.73 -13.76 0.43 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.965 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.74 -41.74 98.05 Favored 'General case' 0 C--O 1.191 -2.001 0 C-N-CA 123.22 0.608 . . . . 0.0 112.072 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.4 ttpp -64.98 -48.75 72.89 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.882 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.6 85.55 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.904 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -68.28 -44.57 75.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.406 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 30.5 tp -60.94 -37.9 83.97 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 123.947 0.899 . . . . 0.0 111.559 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 82.4 mt -64.46 -36.37 83.95 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 ttt180 -69.31 -36.89 77.44 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.8 tp10 -61.36 -43.14 99.38 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 109.434 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.497 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -71.32 -30.83 66.68 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 m -64.25 -39.66 94.4 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-O 121.484 0.659 . . . . 0.0 109.55 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' ARG . 61.0 t -66.59 -38.91 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.804 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 32.2 m -59.62 -46.09 90.0 Favored 'General case' 0 C--O 1.25 1.118 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.631 178.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -58.85 -36.03 73.9 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.746 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.56 76.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 7.3 p90 -76.75 -33.14 58.12 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.824 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -35.82 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.63 -31.66 68.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.58 -36.83 88.83 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 29.9 t -69.68 -32.67 71.41 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -63.86 -43.4 96.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.233 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.3 -24.66 69.22 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 174.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.471 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 59.0 t80 -70.64 -46.65 62.9 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 49.6 m-85 -65.16 -39.81 93.46 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -40.71 80.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.429 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 7.6 mpt_? -69.46 -37.52 77.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.463 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 11.0 mm-40 -65.13 -31.63 72.91 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.06 -20.89 65.77 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -110.46 -6.79 14.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.035 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.61 -28.4 67.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.161 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 m 75.79 -5.2 2.22 Favored 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.42 38.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.357 1.063 . . . . 0.0 109.925 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -142.39 154.17 44.39 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -110.66 176.83 4.88 Favored 'General case' 0 C--N 1.259 -3.363 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.37 -30.92 63.29 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.06 -49.97 72.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.56 0.744 . . . . 0.0 110.72 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 43.3 mt-10 -71.83 -37.88 70.23 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.763 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -56.27 -42.56 77.65 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -59.48 -32.77 70.56 Favored 'General case' 0 C--O 1.197 -1.705 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -74.6 -39.63 62.08 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 123.296 0.638 . . . . 0.0 109.867 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.9 m-85 -73.59 -42.21 61.85 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.79 -32.09 71.56 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 114.143 -1.389 . . . . 0.0 109.163 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.01 80.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.89 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -68.15 -41.16 82.01 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.093 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -57.81 -42.76 84.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.89 -36.53 75.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.7 m -68.67 -45.61 71.28 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.917 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.1 87.62 Favored Glycine 0 N--CA 1.415 -2.752 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.838 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.08 0.467 . . . . 0.0 110.422 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.1 -48.49 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.519 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.15 -27.56 64.64 Favored 'General case' 0 C--O 1.204 -1.304 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.21 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 14.4 mt -67.21 -37.43 83.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.11 -37.56 81.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.18 -38.19 75.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.359 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.88 -51.05 70.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.666 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 4.5 ptpp? -72.76 -29.25 63.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.399 -0.921 . . . . 0.0 113.082 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.44 70.49 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -71.03 -33.96 70.83 Favored 'General case' 0 C--O 1.18 -2.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' A' ' 103' ' ' LYS . 6.9 tt0 -58.38 -46.71 85.83 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 123.862 0.865 . . . . 0.0 109.771 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.1 -32.62 74.18 Favored 'General case' 0 C--O 1.183 -2.421 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -68.52 -48.88 63.2 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.445 0.698 . . . . 0.0 109.444 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.5 t -67.92 -38.37 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.312 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.45 -33.16 75.29 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.27 173.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 -17.84 54.85 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.616 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 CA--C 1.545 0.787 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.933 178.478 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.47 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -74.91 -34.76 62.2 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.674 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.01 -43.83 94.44 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.94 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -66.28 -32.86 74.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -84.06 0.0 50.04 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.083 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -72.44 -22.84 61.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.681 -0.407 . . . . 0.0 109.963 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.48 -40.34 95.49 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.785 0.802 . . . . 0.0 109.866 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.44 -34.9 25.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 6.1 tm-20 -59.77 -46.66 88.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.477 0.711 . . . . 0.0 109.481 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.67 -36.09 81.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.518 177.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -68.57 -34.16 75.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 62.0 tp -58.35 -43.43 88.35 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.725 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.3 pp -68.59 -35.11 76.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.79 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -59.13 -47.78 84.04 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.683 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.0 mm -62.58 -46.7 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 O-C-N 123.302 0.376 . . . . 0.0 110.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -64.28 -44.6 91.18 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.211 0.529 . . . . 0.0 110.656 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.509 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 20.4 t60 -70.27 -31.11 68.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 122.101 -0.375 . . . . 0.0 111.359 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.0 tp10 -59.68 -37.15 77.99 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 34' ' ' ILE . 39.8 t -64.69 -45.03 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 64.0 m-20 -59.21 -45.18 91.77 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 122.322 1.058 . . . . 0.0 109.658 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.12 -47.1 63.22 Favored 'General case' 0 N--CA 1.405 -2.693 0 CA-C-N 113.403 -1.726 . . . . 0.0 109.978 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.37 -35.15 77.29 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.394 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 mt-10 -70.02 -24.96 63.37 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -13.17 26.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.051 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 m -95.14 -58.31 2.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.715 -174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.82 -57.63 0.01 OUTLIER Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.482 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 75.19 4.97 4.22 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.428 1.091 . . . . 0.0 110.186 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -66.04 -48.48 70.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.827 -1.078 . . . . 0.0 113.332 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.18 -22.95 1.53 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.538 0.685 . . . . 0.0 111.323 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.296 43.4 mt-10 -66.49 -32.87 74.5 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' CE ' HG13 ' A' ' 109' ' ' VAL . 38.5 tptt -55.72 -43.49 76.57 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.873 0.844 . . . . 0.0 108.986 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.85 78.54 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.082 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.09 -40.14 88.57 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.672 HD21 HG22 ' A' ' 38' ' ' VAL . 7.2 tp -57.91 -50.12 74.44 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 124.587 1.155 . . . . 0.0 111.148 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 35.9 mt -67.18 -34.68 78.05 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.386 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -68.79 -35.69 77.35 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.35 -36.76 77.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.781 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD11 ' A' ' 102' ' ' LEU . 3.1 pp -74.09 -29.75 62.02 Favored 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.454 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 m -61.06 -38.89 87.82 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.315 0.579 . . . . 0.0 110.293 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.7 t -65.84 -39.89 86.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.84 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -62.42 -42.55 99.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 126.218 1.807 . . . . 0.0 108.332 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 -44.31 63.88 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.586 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.84 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.335 6.8 p90 -76.43 -31.91 58.15 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 117.576 -1.65 . . . . 0.0 112.387 -178.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 60' ' ' SER . 5.4 tp -64.37 -37.91 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.873 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.69 -39.89 95.45 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.94 93.54 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.522 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.8 m -73.73 -34.89 64.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 122.431 -0.452 . . . . 0.0 110.347 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 68.7 mtp180 -69.23 -41.39 77.09 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.599 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -64.63 -21.36 66.97 Favored Glycine 0 N--CA 1.422 -2.248 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.462 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.513 ' HA ' ' HD3' ' A' ' 73' ' ' ARG . 64.1 t80 -70.36 -48.17 57.59 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.51 -37.7 87.07 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.238 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 24.3 mt-30 -54.71 -44.77 73.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 173.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' A' ' 69' ' ' GLY 0.324 0.0 OUTLIER -69.74 -30.66 68.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 119.029 -1.068 . . . . 0.0 111.891 174.86 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 7.6 mm-40 -61.63 -29.75 70.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.097 0.475 . . . . 0.0 110.977 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.39 -20.98 66.21 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.503 0.668 . . . . 0.0 110.573 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 49.3 tttp -98.99 -7.75 26.45 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.599 1.16 . . . . 0.0 109.467 -175.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 7.6 ttt-85 -63.52 -27.4 69.24 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.703 1.201 . . . . 0.0 111.31 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.6 m 75.34 -37.18 0.33 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.647 1.179 . . . . 0.0 111.03 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.15 79.1 9.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.003 0.906 . . . . 0.0 110.197 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -161.94 156.13 21.99 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 103.274 -2.862 . . . . 0.0 103.274 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.47 -167.63 1.55 Allowed 'General case' 0 C--N 1.256 -3.492 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.7 -30.35 70.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.57 -49.78 75.27 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.214 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 39.7 mt-10 -72.61 -37.36 68.11 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.627 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.75 -37.62 76.62 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.153 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.89 -37.74 88.13 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.255 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -74.09 -32.51 63.27 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 124.086 0.955 . . . . 0.0 111.218 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 9.2 m-85 -72.06 -40.58 68.23 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.64 -31.73 71.09 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.3 81.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.703 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -63.75 -43.19 97.18 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.48 0.712 . . . . 0.0 110.695 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.7 mt -59.18 -36.4 75.27 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.192 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.67 -37.49 65.24 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 123.507 0.504 . . . . 0.0 110.657 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -43.54 81.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.433 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.25 -38.29 87.45 Favored Glycine 0 N--CA 1.419 -2.446 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.058 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.26 -47.33 86.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.83 0.452 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.83 -48.08 80.61 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.085 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.456 HD11 HG12 ' A' ' 64' ' ' ILE . 3.0 pp -70.72 -29.02 65.17 Favored 'General case' 0 C--O 1.199 -1.597 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.395 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.21 -37.1 77.89 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -68.92 -33.18 73.32 Favored 'General case' 0 N--CA 1.411 -2.38 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.205 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.63 -40.88 63.44 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 109.667 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 57' ' ' LEU . 22.0 tp -59.81 -49.3 78.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.659 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 65.5 mttp -71.78 -29.14 64.15 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.644 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.73 73.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -70.54 -32.98 70.64 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 54.1 mt-30 -58.56 -45.23 89.43 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 71.1 mmtt -64.48 -32.15 73.66 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 123.532 0.52 . . . . 0.0 109.949 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 72.9 ttt180 -68.66 -48.15 64.73 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 124.134 0.974 . . . . 0.0 109.14 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.494 HG13 ' CE ' ' A' ' 50' ' ' LYS . 41.4 t -58.54 -48.68 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.809 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.496 1.518 . . . . 0.0 110.609 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.87 -40.84 68.66 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.319 -0.75 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -31.03 61.1 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.84 -36.58 78.33 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.433 0.635 . . . . 0.0 110.25 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -71.94 -40.54 68.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.726 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -89.05 5.62 43.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -69.04 -31.61 70.53 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.98 -41.67 98.27 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 122.184 0.992 . . . . 0.0 109.421 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -77.32 -34.76 21.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.609 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 42.5 tt0 -65.81 -46.47 78.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.02 78.97 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.002 0.429 . . . . 0.0 110.2 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 34' ' ' ILE . 51.0 t80 -62.36 -42.88 99.76 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.314 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.91 -40.99 95.22 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 123.346 0.658 . . . . 0.0 109.333 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 28.4 mt -64.92 -42.32 94.81 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -59.5 -37.86 79.39 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.434 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 38' ' ' VAL . 68.3 mt -62.37 -42.25 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.825 0.45 . . . . 0.0 110.132 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -66.2 -39.35 89.6 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.559 0.695 . . . . 0.0 109.739 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -69.47 -31.76 70.26 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 15.4 tp10 -63.9 -41.06 97.79 Favored 'General case' 0 C--O 1.197 -1.676 0 C-N-CA 123.945 0.898 . . . . 0.0 108.868 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 76.5 t -58.83 -48.61 85.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.247 0 C-N-CA 124.316 1.046 . . . . 0.0 108.236 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -58.6 -43.83 89.67 Favored 'General case' 0 C--O 1.282 2.771 0 CA-C-O 122.556 1.17 . . . . 0.0 110.919 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.31 -48.6 72.55 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.085 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 3.7 pp -65.84 -33.95 77.03 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.483 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 31.8 mm-40 -59.59 -35.44 74.3 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 123.681 0.613 . . . . 0.0 111.389 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 -14.22 21.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.336 -1.345 . . . . 0.0 111.618 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.3 m -90.87 -39.25 12.43 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.259 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.85 -50.8 0.17 Allowed Glycine 0 C--N 1.312 -0.775 0 C-N-CA 119.778 -1.201 . . . . 0.0 112.966 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 57.34 31.66 20.52 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.981 1.713 . . . . 0.0 111.626 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.48 -50.44 63.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.46 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -150.68 -9.74 0.25 Allowed 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 122.404 1.097 . . . . 0.0 109.313 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.86 -34.48 74.66 Favored 'General case' 0 C--O 1.2 -1.525 0 C-N-CA 125.745 1.618 . . . . 0.0 111.045 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 65.4 tttt -65.42 -48.5 72.57 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 120.772 0.32 . . . . 0.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.32 85.44 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.132 0.491 . . . . 0.0 110.239 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.71 -42.54 99.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.009 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.8 tp -61.27 -38.17 85.78 Favored 'General case' 0 N--CA 1.428 -1.564 0 C-N-CA 123.651 0.78 . . . . 0.0 111.537 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.5 mp -64.52 -33.73 76.59 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.81 0.814 . . . . 0.0 111.203 174.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -69.73 -25.18 63.72 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.7 174.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 9.0 tp10 -70.22 -37.79 75.09 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.268 4.0 pp -72.56 -29.26 63.39 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 177.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 24.2 m -62.18 -39.26 92.08 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.49 -38.72 83.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.785 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.8 m -60.54 -46.63 89.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.06 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.1 pt-20 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.87 86.53 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.785 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 16.0 p90 -75.8 -31.36 59.39 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 117.986 -1.486 . . . . 0.0 110.782 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 98' ' ' LEU . 6.7 mm -60.22 -48.45 88.05 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.71 -28.34 64.67 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.341 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.39 -46.03 81.17 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 174.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 p -68.96 -35.55 76.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 92' ' ' LEU . 68.2 mtp180 -62.72 -42.28 99.58 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 175.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.63 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.89 -25.38 71.9 Favored Glycine 0 N--CA 1.419 -2.495 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.09 -49.72 41.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 31.9 m-85 -59.86 -40.43 88.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.653 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -65.73 -39.48 91.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.63 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.8 -33.96 73.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.127 0.489 . . . . 0.0 111.568 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -70.3 -37.51 74.79 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.76 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 tp -66.53 -15.92 63.76 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.68 0.753 . . . . 0.0 110.765 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 81.6 tttt -82.65 -15.91 50.29 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.027 0.931 . . . . 0.0 110.195 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' ' 79' ' ' ASP . 54.5 mtt180 -69.96 -34.46 73.44 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 m 77.28 -22.65 0.27 Allowed 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 3.9 p30 -65.98 -15.72 63.25 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 121.748 0.785 . . . . 0.0 111.754 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 6.3 mp -55.54 171.22 0.21 Allowed 'General case' 0 CA--C 1.476 -1.879 0 C-N-CA 127.716 2.406 . . . . 0.0 111.331 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.6 -176.78 4.09 Favored 'General case' 1 C--N 1.234 -4.433 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.87 -30.4 70.12 Favored 'General case' 0 C--O 1.191 -2.007 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.04 -48.84 80.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.173 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 21.9 mm-40 -71.7 -48.1 49.57 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.722 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.98 -44.4 78.52 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.638 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -68.17 -32.33 72.5 Favored 'General case' 0 C--O 1.188 -2.163 0 O-C-N 123.157 0.285 . . . . 0.0 110.764 -176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.75 -40.57 63.4 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.3 m-85 -76.77 -42.12 42.06 Favored 'General case' 0 CA--C 1.484 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.44 -33.59 76.05 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.93 71.2 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.526 -1.269 . . . . 0.0 109.564 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.53 -43.57 76.45 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.469 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 4.4 pp -65.37 -33.94 77.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.471 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.95 -30.51 62.58 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 m -67.9 -41.65 82.38 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.2 -44.76 97.71 Favored Glycine 0 N--CA 1.417 -2.575 0 CA-C-N 114.005 -1.452 . . . . 0.0 112.422 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.7 -41.33 92.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 117.251 0.526 . . . . 0.0 110.498 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.0 mt -65.44 -43.77 89.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.232 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.6 pp -72.38 -27.65 62.51 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.649 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.19 -46.43 77.36 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -69.35 -31.24 69.54 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.717 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.03 -34.59 76.76 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 87.4 mt -58.04 -48.67 79.38 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 99.8 mttt -69.12 -27.23 65.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.056 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.1 73.73 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.73 -34.32 71.77 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.72 -41.94 87.55 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.958 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.8 mmtt -65.84 -35.52 80.9 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.388 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.74 -45.09 75.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.503 0.668 . . . . 0.0 109.552 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 54' ' ' LEU . 60.5 t -67.58 -39.3 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.677 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -59.6 -38.45 81.29 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -76.25 -18.2 59.12 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.886 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.414 -2.248 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.475 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 CA--C 1.515 -0.401 0 CA-C-O 121.197 0.522 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -41.7 97.45 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.155 0.982 . . . . 0.0 110.005 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.67 -36.38 76.33 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.613 0.765 . . . . 0.0 110.953 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -75.77 -39.22 57.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.118 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -84.94 -4.82 59.28 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.429 0.633 . . . . 0.0 112.245 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -68.15 -27.46 66.45 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.546 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 18.9 mm-40 -72.45 -29.84 64.04 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.607 0.717 . . . . 0.0 109.963 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.5 mp -78.4 -35.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 19.4 tp10 -59.23 -39.91 84.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 39.8 ttmt -59.33 -39.82 84.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.256 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 25.1 m-85 -59.59 -44.89 93.23 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.52 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.2 -39.85 80.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 120.955 0.407 . . . . 0.0 111.513 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 23.9 mt -63.57 -47.05 83.11 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.38 -45.72 90.65 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.502 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' VAL . 73.7 mt -62.68 -46.09 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -64.14 -41.97 96.99 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.967 0.413 . . . . 0.0 110.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.13 -39.11 91.45 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 109.752 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -30.3 67.85 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 47.7 t -62.9 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.9 -45.07 87.47 Favored 'General case' 0 C--O 1.265 1.882 0 CA-C-O 122.124 0.964 . . . . 0.0 110.427 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.99 -44.52 95.8 Favored 'General case' 0 C--O 1.194 -1.863 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.141 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.1 pp -64.44 -35.01 79.54 Favored 'General case' 0 CA--C 1.483 -1.626 0 O-C-N 123.373 0.421 . . . . 0.0 110.81 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.3 tm-20 -63.1 -34.48 77.69 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.7 -36.03 17.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.015 0.912 . . . . 0.0 110.007 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 23.3 m -68.91 -10.73 58.71 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 125.752 1.621 . . . . 0.0 112.097 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.39 -37.83 2.53 Favored Glycine 0 N--CA 1.463 0.455 0 C-N-CA 119.125 -1.512 . . . . 0.0 114.394 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 71.68 19.12 5.08 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 122.232 1.015 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' OE1' ' A' ' 49' ' ' GLU . 6.5 ptpp? -67.05 -47.55 71.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.573 -173.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.84 -17.66 3.14 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 122.036 0.922 . . . . 0.0 109.758 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.549 ' OE1' ' HG2' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -59.87 -35.77 75.51 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.024 -171.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.691 ' HE2' ' O ' ' A' ' 109' ' ' VAL . 9.2 tptm -65.45 -50.53 65.05 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.317 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.949 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -66.03 -48.59 70.62 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.968 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.77 -35.59 77.25 Favored 'General case' 0 N--CA 1.423 -1.779 0 CA-C-O 121.307 0.575 . . . . 0.0 110.962 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 93.5 mt -62.26 -33.18 74.12 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.191 0.52 . . . . 0.0 111.036 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.0 ttm180 -69.34 -37.35 77.65 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.43 -35.51 79.48 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.789 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.4 pp -71.84 -32.08 67.16 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.793 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 42.9 m -64.95 -35.75 82.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 121.844 0.83 . . . . 0.0 109.821 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 55' ' ' ARG . 48.5 t -69.3 -43.12 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.821 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 19.4 m -62.84 -31.15 72.11 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 123.287 1.518 . . . . 0.0 110.432 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' THR . 24.3 tt0 -67.98 -37.4 81.48 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-N 112.052 -2.34 . . . . 0.0 107.257 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.11 63.7 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.898 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 2.5 m-85 -63.94 -41.4 97.62 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 32.9 mm -59.22 -45.26 93.06 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.738 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' HH21 ' A' ' 68' ' ' ARG . 11.1 mm-40 -56.61 -45.27 81.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 111.77 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.78 95.9 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.6 m -69.74 -32.35 70.84 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 43.2 mtm105 -67.91 -39.61 83.56 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.287 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.711 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.99 -31.54 79.78 Favored Glycine 0 N--CA 1.42 -2.401 0 C-N-CA 120.249 -0.977 . . . . 0.0 110.693 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -70.63 -52.03 24.05 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 121.292 0.567 . . . . 0.0 109.666 -173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -65.89 -38.81 89.74 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.738 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.12 -40.03 84.16 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.335 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.711 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.9 mpt_? -69.59 -44.69 70.25 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.826 -0.17 . . . . 0.0 110.742 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.62 -29.45 70.06 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD11 ' HG3' ' A' ' 85' ' ' LYS . 28.9 tp -66.18 -15.86 63.5 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.755 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 20.9 pttm -96.07 -5.29 41.25 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 121.952 -0.467 . . . . 0.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -50.74 -19.66 1.02 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.577 1.951 . . . . 0.0 115.118 -167.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.9 m 75.87 -46.66 0.56 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.719 0.808 . . . . 0.0 110.336 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -92.11 74.59 5.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 123.175 1.464 . . . . 0.0 111.09 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -159.52 152.98 22.48 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -127.11 -161.88 1.11 Allowed 'General case' 0 C--N 1.268 -2.972 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.06 -30.55 69.29 Favored 'General case' 0 C--O 1.202 -1.405 0 CA-C-N 118.043 0.383 . . . . 0.0 111.004 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.3 -48.54 77.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.506 0.669 . . . . 0.0 111.484 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 9.5 mp0 -71.26 -45.4 63.26 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.201 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' A' ' 75' ' ' LEU . 23.4 ttmm -55.59 -40.88 72.61 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 114.286 -1.324 . . . . 0.0 109.767 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.22 -36.71 83.74 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.377 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -74.51 -32.75 62.61 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 122.973 0.509 . . . . 0.0 111.054 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.6 m-30 -68.78 -45.36 71.55 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 58.5 mt-10 -67.97 -32.43 72.85 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.628 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.36 79.28 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.796 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -64.43 -41.78 96.4 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 96.4 mt -59.25 -41.91 89.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.359 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 -35.28 67.98 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -66.27 -44.7 82.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -41.61 95.66 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.32 -49.92 75.99 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 122.775 0.43 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.604 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.68 -28.63 63.86 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.603 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 6.6 tt -69.52 -40.63 76.8 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 122.312 1.053 . . . . 0.0 108.33 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -71.81 -31.02 66.12 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.798 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.18 -38.8 82.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 106' ' ' GLN . 79.8 mt -54.95 -48.37 73.28 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.589 173.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -61.46 -38.15 86.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.544 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.28 68.01 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 109' ' ' VAL . 1.2 pp -70.45 -33.82 71.73 Favored 'General case' 0 C--O 1.174 -2.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -59.12 -44.11 91.98 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 124.374 1.069 . . . . 0.0 109.187 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.33 -34.29 77.65 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.335 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -67.35 -42.04 84.18 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.759 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.691 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 60.1 t -70.56 -38.74 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.337 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.407 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 9.7 mm100 -49.68 -46.93 50.42 Favored 'General case' 0 CA--C 1.489 -1.399 0 C-N-CA 123.353 0.661 . . . . 0.0 110.307 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -87.5 -50.37 6.58 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 117.246 -1.781 . . . . 0.0 110.967 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.491 1.588 0 C-N-CA 127.752 2.421 . . . . 0.0 115.924 -179.544 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 p -75.34 -35.28 61.2 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.14 0.495 . . . . 0.0 111.781 -176.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.09 -36.31 77.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.55 -34.62 77.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -95.43 14.76 21.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 27.1 t60 -72.77 -29.38 63.26 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 1.4 mp0 -63.28 -40.87 98.59 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.294 0.568 . . . . 0.0 110.888 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.0 -34.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.532 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -66.45 -39.61 88.96 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.299 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 14.1 ptmm? -66.86 -36.47 82.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.55 0.691 . . . . 0.0 109.545 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.72 -37.39 82.16 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.83 -37.01 82.84 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 47.3 mt -65.48 -44.48 87.01 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 176.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.66 -39.01 82.99 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.129 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.6 mm -61.81 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.51 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 26.0 m -62.85 -44.07 97.12 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 121.484 0.659 . . . . 0.0 110.39 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.405 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 40.0 m-70 -70.81 -30.55 67.03 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.43 -32.8 74.34 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.8 t -62.37 -50.64 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.606 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 70.5 m-20 -55.18 -42.58 73.38 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.499 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.17 -45.67 55.2 Favored 'General case' 0 N--CA 1.402 -2.866 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.493 -173.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -68.9 -34.24 75.09 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 38' ' ' VAL . 2.8 tp10 -61.81 -40.91 96.91 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -13.18 50.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.437 1.113 . . . . 0.0 110.081 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 2.6 m -83.61 -33.61 25.29 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.082 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.71 -46.08 0.79 Allowed Glycine 0 CA--C 1.478 -2.227 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.024 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.479 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 32.0 t30 67.47 60.9 0.47 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.861 0.839 . . . . 0.0 111.25 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -72.01 -50.43 28.69 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.518 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.69 -0.3 1.75 Allowed 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.22 -36.95 85.74 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.923 -172.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HD2' HG12 ' A' ' 109' ' ' VAL . 3.3 tppp? -62.17 -49.54 75.41 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -62.86 -44.62 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.026 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -59.82 -47.13 86.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 34.4 tp -65.14 -39.33 92.87 Favored 'General case' 0 N--CA 1.408 -2.54 0 CA-C-O 121.145 0.498 . . . . 0.0 111.928 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 109' ' ' VAL . 76.4 mt -69.96 -33.91 72.7 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.079 -0.649 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 97.4 mtt180 -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.0 tp10 -62.06 -43.93 97.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.273 1.029 . . . . 0.0 109.185 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HB2' HD12 ' A' ' 102' ' ' LEU . 3.8 pp -71.3 -29.98 65.7 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 63.1 m -62.9 -39.21 93.81 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 122.241 1.019 . . . . 0.0 109.187 175.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.62 -38.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.817 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 20.3 m -61.68 -46.97 87.43 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.632 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.4 pt-20 -64.27 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.34 80.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.703 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.817 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.281 9.3 p90 -76.68 -31.47 57.28 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.207 -178.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.65 -33.97 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 36.4 tt0 -67.56 -34.35 76.87 Favored 'General case' 0 N--CA 1.435 -1.194 0 O-C-N 121.799 -0.563 . . . . 0.0 109.498 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.25 93.66 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.15 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 p -69.69 -32.36 70.91 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' A' ' 65' ' ' GLU . 57.1 mtm180 -67.83 -41.27 83.26 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.971 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -61.51 -26.79 66.96 Favored Glycine 0 N--CA 1.431 -1.671 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.0 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -70.35 -46.18 64.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.34 -39.79 88.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.736 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.7 -36.57 81.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.571 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 16.8 mmm180 -71.12 -39.91 71.76 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.98 0.419 . . . . 0.0 110.583 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.95 -29.93 69.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 75' ' ' LEU . 5.6 tt -60.87 -23.83 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.655 1.182 . . . . 0.0 109.276 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.59 -6.49 58.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.76 -54.3 20.39 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.9 m 75.79 3.76 3.84 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 122.355 1.074 . . . . 0.0 110.511 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.51 -26.13 63.45 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.744 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 5.7 mp -97.43 -178.65 4.22 Favored 'General case' 0 N--CA 1.41 -2.441 0 C-N-CA 124.382 1.073 . . . . 0.0 110.845 -176.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.7 t70 -108.76 -158.85 0.66 Allowed 'General case' 0 C--N 1.267 -3.016 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.421 -172.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -57.77 -27.54 63.16 Favored 'General case' 0 C--O 1.191 -1.998 0 CA-C-O 121.114 0.483 . . . . 0.0 109.98 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.249 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.8 pt-20 -71.13 -54.15 12.07 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 118.317 -1.353 . . . . 0.0 108.892 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 13.3 mptt -56.03 -43.63 77.99 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.948 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.44 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 83.4 t80 -68.81 -33.03 73.17 Favored 'General case' 0 N--CA 1.419 -1.982 0 O-C-N 123.888 0.742 . . . . 0.0 111.691 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -73.73 -37.42 65.11 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 84' ' ' GLU . 5.7 m-85 -76.38 -44.04 38.04 Favored 'General case' 0 CA--C 1.464 -2.335 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.3 pt-20 -66.68 -31.96 72.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.78 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.28 70.43 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.13 -34.65 73.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.2 mt -63.32 -38.51 91.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.01 62.36 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.49 0.494 . . . . 0.0 110.177 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.3 m -64.48 -47.12 80.17 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.507 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -68.17 -39.86 88.17 Favored Glycine 0 N--CA 1.423 -2.169 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.424 -177.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.78 -42.09 77.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.301 0.55 . . . . 0.0 110.32 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.98 -42.4 89.87 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 64' ' ' ILE . 4.1 pp -71.33 -28.74 64.3 Favored 'General case' 0 C--O 1.201 -1.499 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.523 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -67.62 -40.82 84.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -63.86 -33.6 76.06 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.907 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.73 -36.36 70.45 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 57' ' ' LEU . 3.0 mm? -57.2 -46.21 83.08 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.67 -41.48 83.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.606 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.27 72.24 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.41 -34.46 74.52 Favored 'General case' 0 C--O 1.18 -2.602 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.433 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.5 tt0 -59.97 -37.93 81.04 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 123.224 0.328 . . . . 0.0 111.353 177.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.54 -36.73 81.55 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -68.06 -41.16 82.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.862 0.839 . . . . 0.0 110.146 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.64 HG12 ' HD2' ' A' ' 50' ' ' LYS . 90.4 t -68.73 -38.46 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.803 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -62.85 -35.84 81.29 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.15 -35.13 79.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.637 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.557 1.227 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.253 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 121.133 0.492 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -70.42 -33.82 71.79 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.166 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -68.75 -39.96 80.04 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.175 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 20' ' ' ALA . 16.0 ptm180 -77.6 -17.74 57.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.136 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.435 ' HA ' HD13 ' A' ' 27' ' ' ILE . 14.3 m-30 -110.53 13.2 22.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.133 0.492 . . . . 0.0 111.168 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.22 -41.94 97.74 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.28 175.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 24' ' ' PHE . 4.1 mp -68.58 -34.57 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.363 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.67 -37.07 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 120.987 0.422 . . . . 0.0 110.102 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.73 -38.68 91.82 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.914 175.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 34' ' ' ILE . 46.9 m-85 -60.27 -42.56 95.66 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.195 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.55 -47.97 80.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.183 0.516 . . . . 0.0 110.07 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.48 -34.81 74.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.664 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 31.9 t-80 -64.94 -39.38 93.4 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.213 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 30' ' ' PHE . 48.4 mm -62.76 -46.58 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -60.41 -40.5 91.22 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.378 0.608 . . . . 0.0 109.782 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.57 -46.78 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.212 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 9.5 mm-40 -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.489 0.493 . . . . 0.0 109.917 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 56.1 t -65.27 -50.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.81 -37.79 87.22 Favored 'General case' 0 C--O 1.271 2.235 0 CA-C-O 122.201 1.001 . . . . 0.0 109.723 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.02 -47.4 84.92 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.046 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 4.6 pp -66.69 -33.73 76.29 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 74.6 mm-40 -59.32 -29.57 67.73 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 123.671 0.607 . . . . 0.0 110.484 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -106.47 -11.83 15.81 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.074 -1.05 . . . . 0.0 112.872 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -107.02 -43.84 4.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -172.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.8 -88.88 0.07 OUTLIER Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.241 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 0.5 OUTLIER 109.19 -3.9 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 128.185 2.594 . . . . 0.0 111.333 -176.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -64.22 -48.82 74.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -166.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.3 p-10 -126.1 -10.36 6.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.595 0.712 . . . . 0.0 109.904 176.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -68.46 -36.85 79.59 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 125.408 1.483 . . . . 0.0 112.883 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 11.2 tptm -67.38 -47.34 70.65 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -176.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.38 79.44 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.065 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 31.2 ttt180 -63.5 -48.89 75.74 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 124.515 1.126 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 3.9 pp -67.86 -31.53 71.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.5 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 69.7 mt -64.16 -34.26 77.66 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 121.531 0.681 . . . . 0.0 110.114 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 ttt180 -69.25 -36.31 77.01 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.16 -34.82 71.33 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.771 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' A' ' 102' ' ' LEU . 3.8 pp -71.39 -32.72 68.78 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.5 m -62.37 -38.46 89.68 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 123.724 0.81 . . . . 0.0 110.751 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' ARG . 74.0 t -70.66 -39.08 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 175.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.8 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.8 m -61.26 -41.93 97.77 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 122.581 1.181 . . . . 0.0 109.548 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -63.62 -33.12 74.91 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.832 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.56 60.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.447 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.8 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.368 3.4 p90 -72.04 -31.26 65.99 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.211 -0.996 . . . . 0.0 113.605 177.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.626 HG13 HD11 ' A' ' 98' ' ' LEU . 14.8 mm -65.53 -40.86 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.399 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.5 -43.56 98.65 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.93 -44.01 98.4 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.635 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -71.75 -36.8 70.54 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.776 -0.249 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' PHE . 39.7 ptt180 -69.7 -33.35 72.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.697 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -67.65 -27.28 73.6 Favored Glycine 0 N--CA 1.429 -1.808 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -71.06 -38.72 72.48 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 68' ' ' ARG . 20.2 m-85 -64.97 -40.65 95.31 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.98 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 15.7 mm100 -56.58 -42.0 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.481 0.488 . . . . 0.0 109.868 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -62.4 -43.61 98.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 176.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 40.4 mt-10 -68.19 -31.32 70.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.008 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 96.1 mt -71.85 -17.82 62.11 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 3.7 mmmp? -90.78 -13.03 34.73 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 74' ' ' GLU . 99.2 mtt180 -66.81 -20.67 65.98 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.327 0.584 . . . . 0.0 109.882 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 m 73.54 -32.59 0.24 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.52 1.528 . . . . 0.0 114.204 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.91 -76.13 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.001 0.52 . . . . 0.0 111.649 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 75' ' ' LEU . 7.0 mp 58.38 171.87 0.06 Allowed 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.525 1.631 . . . . 0.0 114.998 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.93 152.14 51.27 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-N 111.828 -2.442 . . . . 0.0 104.679 168.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.45 -40.11 93.27 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 118.425 0.557 . . . . 0.0 110.774 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.57 -38.31 80.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.12 0.486 . . . . 0.0 110.477 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.2 -41.41 85.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.444 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 27.4 ttpp -60.94 -39.27 88.82 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.16 -34.22 74.67 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.246 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -74.1 -39.43 63.38 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.077 1.351 . . . . 0.0 109.028 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.1 m-85 -69.12 -45.32 70.46 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.21 -31.99 72.75 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.372 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.08 74.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.363 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.82 74.99 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.452 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -58.25 -41.91 85.23 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.66 -29.01 62.06 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.4 m -75.33 -39.69 59.16 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.73 -41.07 89.74 Favored Glycine 0 N--CA 1.415 -2.727 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 26.2 t70 -57.71 -49.3 76.97 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 122.738 0.415 . . . . 0.0 110.563 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 78.8 mt -62.75 -46.35 88.47 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.626 HD11 HG13 ' A' ' 64' ' ' ILE . 4.6 pp -70.67 -26.89 63.64 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.292 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.53 -38.4 84.16 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.579 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 5.1 mptp? -68.9 -32.84 72.77 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.995 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.32 -45.81 75.35 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 57' ' ' LEU . 71.9 mt -60.3 -51.04 71.22 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.543 1.137 . . . . 0.0 111.582 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.431 ' O ' ' HE2' ' A' ' 107' ' ' LYS . 67.0 mttm -69.95 -35.22 74.32 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.87 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.24 71.15 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.006 0.431 . . . . 0.0 110.274 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -71.22 -33.88 70.31 Favored 'General case' 0 C--O 1.184 -2.387 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.499 ' HG2' HD22 ' A' ' 54' ' ' LEU . 21.6 tm0? -63.98 -38.53 91.43 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -68.45 -33.03 73.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.295 175.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -68.71 -41.99 78.32 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 105' ' ' LEU . 94.4 t -63.65 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.37 -33.25 75.53 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.868 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.42 -42.65 68.02 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.787 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.273 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.687 0.28 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 p -73.35 -29.0 62.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.327 0.584 . . . . 0.0 110.918 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -67.33 -35.2 78.92 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.155 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -72.64 -48.53 38.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.971 174.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.1 81.81 5.06 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.838 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 -27.38 2.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.35 -39.6 65.08 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.9 tp -69.68 -34.23 60.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.703 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 9.4 tp10 -63.35 -48.19 79.0 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.224 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 19.7 ptpt -64.97 -36.43 84.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.304 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.1 m-85 -57.7 -44.12 85.65 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 123.161 0.288 . . . . 0.0 110.508 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.68 -45.91 85.0 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.803 0.69 . . . . 0.0 109.248 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 21.4 mt -63.58 -44.87 92.8 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 122.084 0.945 . . . . 0.0 109.794 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 61.1 m-70 -67.68 -36.24 80.32 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.629 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.4 mt -62.45 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 123.708 0.63 . . . . 0.0 109.785 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -61.5 -45.67 93.26 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 121.589 0.709 . . . . 0.0 110.512 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.9 -36.98 81.14 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.9 tp10 -59.91 -41.2 91.17 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 72.9 t -58.7 -50.43 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 C-N-CA 124.247 1.019 . . . . 0.0 109.355 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.2 -40.64 94.47 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-O 121.957 0.884 . . . . 0.0 110.846 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.41 -42.99 82.33 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.501 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.0 pp -68.35 -34.61 76.4 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 70.0 mt-10 -62.45 -36.57 82.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -12.65 48.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.091 0.948 . . . . 0.0 111.099 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.45 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 5.9 m -91.02 -37.63 13.33 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.247 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.88 -49.9 0.3 Allowed Glycine 0 C--O 1.213 -1.193 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER 75.4 12.78 3.17 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 126.436 1.895 . . . . 0.0 112.25 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -63.28 -50.34 70.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.241 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.03 -26.74 3.37 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.002 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.82 -37.89 83.54 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HB2' HD13 ' A' ' 41' ' ' LEU . 26.7 tttm -67.1 -49.37 65.2 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.448 -176.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.96 93.03 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.5 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -69.24 -41.28 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.619 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.75 -38.08 89.77 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 122.92 0.488 . . . . 0.0 110.991 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 64.3 mt -64.62 -33.22 75.43 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.196 0.522 . . . . 0.0 110.427 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.98 -33.62 74.98 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 59' ' ' VAL . 31.1 tt0 -66.49 -38.79 88.03 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.372 176.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 3.1 pp -68.26 -31.11 70.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.398 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 m -64.37 -38.1 89.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.38 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -73.95 -37.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.955 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.744 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 35.6 p -61.97 -41.15 97.68 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.203 0.525 . . . . 0.0 112.236 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 64' ' ' ILE . 13.2 pt-20 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.0 96.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.252 14.2 p90 -76.21 -31.84 58.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 117.975 -1.49 . . . . 0.0 111.827 178.663 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -66.7 -37.32 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.75 -36.78 81.15 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 122.377 -0.202 . . . . 0.0 111.456 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.87 92.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 8.8 t -71.0 -35.31 72.03 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 65.7 mtp180 -69.5 -37.67 77.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.744 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.91 -26.63 70.28 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.622 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 81.5 t80 -70.3 -48.17 57.86 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -57.98 -38.54 76.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.974 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 15.3 mm100 -64.79 -45.48 86.12 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.469 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 4.8 ptm180 -70.6 -32.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.378 0.608 . . . . 0.0 110.612 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.01 -29.55 66.64 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.152 0.981 . . . . 0.0 109.305 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -71.64 -15.13 62.23 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.493 0.663 . . . . 0.0 110.099 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 72' ' ' GLN . 94.4 mttt -103.48 -5.33 22.93 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.222 1.009 . . . . 0.0 110.362 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -52.08 -27.44 13.95 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.704 1.601 . . . . 0.0 114.401 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 m 72.53 -38.25 0.41 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.02 0.928 . . . . 0.0 110.607 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.76 68.71 9.48 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.291 1.043 . . . . 0.0 109.006 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -162.69 154.4 18.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.416 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.69 -173.61 2.63 Favored 'General case' 0 C--N 1.275 -2.654 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 4.3 pp -57.69 -29.48 64.7 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 123.416 0.447 . . . . 0.0 111.67 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.2 mm? -56.1 -48.22 76.57 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 121.838 0.827 . . . . 0.0 110.246 175.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -70.37 -45.07 66.8 Favored 'General case' 0 N--CA 1.418 -2.041 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.705 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 29.4 mtpp -56.08 -41.26 74.88 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.161 177.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.88 -34.26 77.72 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 123.769 0.668 . . . . 0.0 111.575 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.1 -40.79 62.47 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.013 0.925 . . . . 0.0 109.915 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 4.4 m-85 -74.04 -39.05 63.82 Favored 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.46 -34.86 79.28 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.64 -44.43 70.62 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.995 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.83 79.21 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.281 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 81.9 mt -60.14 -41.75 93.38 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 122.386 0.274 . . . . 0.0 110.763 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.95 -35.88 74.85 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 123.407 0.442 . . . . 0.0 110.622 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 54.7 m -65.41 -49.93 67.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-O 121.863 0.839 . . . . 0.0 109.186 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.71 -43.47 96.27 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 13.1 t70 -60.38 -44.83 95.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.532 0.333 . . . . 0.0 111.348 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 94' ' ' THR . 2.1 pp -63.63 -48.2 78.25 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.326 -175.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.02 -27.63 63.82 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.413 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.5 tt -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -69.5 -31.33 69.51 Favored 'General case' 0 N--CA 1.414 -2.252 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.575 176.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.38 -35.06 70.95 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.741 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 99' ' ' LEU . 85.8 mt -55.97 -50.37 70.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.531 0.732 . . . . 0.0 109.628 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -38.78 92.37 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.777 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.75 75.37 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.43 -36.27 73.89 Favored 'General case' 0 C--O 1.187 -2.231 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.005 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.27 -45.93 89.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 O-C-N 123.719 0.637 . . . . 0.0 110.765 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.02 -32.38 72.71 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 123.376 0.423 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -69.03 -44.2 73.19 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.235 0.614 . . . . 0.0 110.178 175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 105' ' ' LEU . 92.6 t -68.48 -39.84 81.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.379 0.609 . . . . 0.0 109.932 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.24 -45.63 87.41 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.35 -41.32 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.686 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.212 -0.901 0 C-N-CA 122.867 0.467 . . . . 0.0 112.104 -179.522 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -70.73 -32.48 69.68 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.38 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -58.61 -44.35 89.89 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.674 0.749 . . . . 0.0 110.643 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -76.14 -28.2 57.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.422 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -96.66 1.01 50.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.389 0.614 . . . . 0.0 112.062 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.74 -24.25 66.92 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.7 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.38 -41.87 93.26 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.043 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mp -71.65 -34.42 52.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.44 -41.25 89.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.28 -46.5 88.38 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.608 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -57.96 -45.28 86.92 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 123.191 0.307 . . . . 0.0 111.64 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 81.4 mt -61.78 -45.43 93.9 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.357 0.411 . . . . 0.0 110.72 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.256 4.4 pp -67.8 -35.26 78.34 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.854 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -61.05 -51.9 67.21 Favored 'General case' 0 CA--C 1.476 -1.876 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.7 mt -61.29 -40.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.326 -176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -61.58 -45.09 95.62 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.341 0.591 . . . . 0.0 109.819 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -65.0 -36.86 85.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.827 0.851 . . . . 0.0 110.38 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -33.91 68.7 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.149 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.0 t -59.64 -41.91 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.87 -42.58 94.72 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.205 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.84 -47.85 81.59 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.057 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.4 pp -65.23 -33.72 76.66 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.353 0.261 . . . . 0.0 111.103 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.18 -28.04 66.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 123.424 0.452 . . . . 0.0 111.697 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.84 -12.55 16.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.396 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.496 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 59.9 m -99.76 -67.72 0.84 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.194 -175.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.74 70.84 0.11 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -175.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.5 p30 -61.84 -33.13 73.62 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -31.38 70.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -168.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.07 -44.1 3.64 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.931 0.872 . . . . 0.0 110.284 -174.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.91 -35.55 74.67 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.411 -1.268 . . . . 0.0 113.087 -172.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -60.48 -40.79 92.55 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.548 -176.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.86 88.82 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.763 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -61.43 -50.27 73.48 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.536 0.684 . . . . 0.0 109.257 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.16 -33.55 73.61 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.717 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 30.0 mt -63.95 -33.67 76.25 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.153 175.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -69.13 -31.47 70.17 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.01 -29.11 68.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.356 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.295 3.0 pp -74.93 -30.83 61.36 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 118.27 -1.372 . . . . 0.0 110.408 173.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.621 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 14.7 m -63.36 -36.37 83.47 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 121.5 0.667 . . . . 0.0 110.554 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.8 -37.0 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.234 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.863 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 26.3 m -60.94 -31.06 70.61 Favored 'General case' 0 C--O 1.257 1.471 0 CA-C-O 122.896 1.331 . . . . 0.0 110.92 175.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 58' ' ' THR . 7.9 tp10 -67.66 -39.42 84.53 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 112.627 -2.078 . . . . 0.0 107.039 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.0 66.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.303 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 3.0 m-85 -65.22 -44.71 87.43 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 119.179 -1.008 . . . . 0.0 108.328 175.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.4 mm -61.92 -49.48 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.41 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -56.18 -45.91 79.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.155 0.284 . . . . 0.0 111.456 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.52 93.65 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 m -72.36 -32.81 66.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 42.1 mtp180 -69.64 -43.15 73.22 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.611 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.92 -28.52 72.85 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 56.7 t80 -66.38 -51.91 52.27 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.446 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.6 m-85 -61.57 -38.56 87.94 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.344 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.58 -50.3 70.44 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 119.105 -0.474 . . . . 0.0 112.175 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.14 -30.96 68.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.891 -1.523 . . . . 0.0 112.443 177.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 77' ' ' ARG . 15.4 mm-40 -64.79 -30.27 71.27 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 80' ' ' LEU . 7.6 tt -69.62 -16.45 63.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 122.057 0.932 . . . . 0.0 109.525 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -97.62 -5.98 34.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.425 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 41.0 mmt180 -62.96 -26.67 68.94 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m 75.16 -13.2 0.87 Allowed 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 124.288 1.035 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -31.14 65.71 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 85' ' ' LYS . 2.7 pt? -59.21 154.64 15.8 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.355 1.55 . . . . 0.0 110.927 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -117.04 177.31 4.76 Favored 'General case' 1 C--N 1.232 -4.508 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.97 -30.14 65.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 119.017 0.826 . . . . 0.0 109.802 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.04 -49.14 78.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.606 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 31.6 mm-40 -70.78 -39.4 73.22 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 80' ' ' LEU . 56.5 tttm -57.52 -38.73 75.14 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.001 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.56 -35.07 78.32 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.787 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -74.29 -32.34 62.86 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 123.628 0.771 . . . . 0.0 111.218 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.6 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.4 m-85 -68.28 -48.89 63.82 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.2 -31.64 72.6 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.958 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.15 79.34 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.09 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.38 79.6 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.548 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 84.7 mt -58.85 -40.19 83.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.58 -35.27 72.95 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.696 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -70.43 -45.37 66.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -65.98 -36.08 91.54 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.591 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.46 -42.44 95.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 111.43 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 84.4 mt -64.22 -49.64 71.17 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.456 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.46 -26.15 63.51 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.367 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 6.4 tt -63.54 -43.87 95.83 Favored 'General case' 0 C--O 1.253 1.249 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -69.55 -33.38 72.69 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.811 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.58 -31.17 61.97 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.816 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.88 -47.11 87.07 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 124.528 1.131 . . . . 0.0 108.039 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -69.22 -33.75 73.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.073 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.32 -43.57 66.79 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 121.046 0.45 . . . . 0.0 110.492 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.03 -33.75 74.13 Favored 'General case' 0 C--O 1.186 -2.273 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.67 -40.87 84.76 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 123.469 0.708 . . . . 0.0 110.08 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.3 -33.2 73.91 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.945 0.402 . . . . 0.0 110.183 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -69.14 -43.99 73.25 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.787 0.803 . . . . 0.0 109.336 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.553 HG12 ' HD3' ' A' ' 50' ' ' LYS . 54.6 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.675 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.99 -32.56 73.04 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.566 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.6 -31.01 61.9 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.439 -0.979 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.443 -179.097 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 p -74.29 -39.09 63.16 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.42 -35.67 80.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -76.84 -25.87 53.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -85.07 -10.57 56.75 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.609 0.719 . . . . 0.0 111.058 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -73.4 -17.82 61.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.13 -41.91 99.41 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.19 -34.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.9 -48.15 82.86 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.623 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -66.19 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.383 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -65.64 -41.71 92.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' HG22 ' A' ' 34' ' ' ILE . 5.9 tt -60.91 -42.88 98.92 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 123.746 0.818 . . . . 0.0 109.743 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.13 -35.55 74.16 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.794 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.9 t60 -71.96 -37.17 69.99 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.035 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.8 tt -69.14 -30.71 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.5 m -65.13 -37.5 87.65 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -64.61 -36.11 83.19 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.219 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 10.3 mm-40 -61.74 -36.12 80.07 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 t -63.77 -44.28 98.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.75 -39.95 95.53 Favored 'General case' 0 C--O 1.266 1.922 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.191 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.523 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 12.5 t70 -62.05 -45.15 94.81 Favored 'General case' 0 N--CA 1.408 -2.545 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.175 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 29.1 mt -65.3 -35.9 82.43 Favored 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.5 -29.49 67.89 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.839 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -106.19 -12.22 15.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.839 176.109 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -108.66 -80.97 0.57 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.895 0.878 . . . . 0.0 113.022 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.93 91.32 0.14 Allowed Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 3.5 p-10 -93.82 -11.08 32.0 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -57.88 -45.62 86.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.74 -29.31 3.43 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.327 1.061 . . . . 0.0 111.096 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 52' ' ' ARG . 36.9 mt-10 -61.57 -32.12 72.19 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 14.8 tptm -56.63 -49.3 75.39 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.721 0.772 . . . . 0.0 109.148 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.75 93.94 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.045 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 41.9 ttp180 -61.24 -43.98 98.0 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.878 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -63.59 -36.35 83.52 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.555 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 109' ' ' VAL . 82.7 mt -66.78 -34.67 78.34 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.938 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 67.7 ttt180 -61.35 -33.48 73.7 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.13 -37.51 81.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.216 0.532 . . . . 0.0 109.873 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.318 3.6 pp -73.37 -29.04 62.37 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.846 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.7 m -60.66 -42.14 96.44 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.99 -40.9 88.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.792 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 17.8 m -61.61 -46.01 91.65 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 64' ' ' ILE . 10.5 pt-20 -67.84 -29.27 68.37 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.159 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.02 88.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.792 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.261 12.3 p90 -76.46 -32.13 58.21 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.861 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.96 -38.78 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.03 -40.92 82.79 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.31 -34.92 89.97 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.372 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.572 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 64.8 m -68.4 -35.36 77.55 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -69.95 -38.32 76.1 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.264 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.545 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.14 -29.0 73.71 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 174.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 67' ' ' SER . 29.4 t80 -68.85 -45.1 71.95 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.388 1.075 . . . . 0.0 108.327 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.09 -39.52 93.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.413 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.55 -37.48 73.16 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.955 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 9.8 mpt_? -69.51 -44.31 71.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.261 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 20.9 mm-40 -61.1 -29.79 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.019 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.35 -17.63 64.83 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.346 0.593 . . . . 0.0 110.622 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -100.73 -5.09 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.141 0.576 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -53.67 -27.7 29.13 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.892 1.277 . . . . 0.0 113.86 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m 72.73 -37.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.521 1.128 . . . . 0.0 111.007 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -84.54 68.44 10.32 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 122.454 1.121 . . . . 0.0 109.172 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -163.22 159.12 22.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -131.0 -170.38 2.35 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 174.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 83' ' ' LEU . 3.7 pp -55.31 -30.08 59.5 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 123.655 0.597 . . . . 0.0 111.725 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.5 tm? -58.98 -47.44 85.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.5 0.666 . . . . 0.0 109.516 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 14.0 mm-40 -70.36 -40.63 73.92 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.978 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 10.0 mtpm? -56.34 -42.9 78.49 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -58.34 -33.5 69.6 Favored 'General case' 0 C--O 1.205 -1.267 0 O-C-N 124.358 1.036 . . . . 0.0 111.62 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -74.48 -39.91 62.17 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 123.716 0.806 . . . . 0.0 109.9 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.631 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.6 m-85 -70.57 -48.69 54.08 Favored 'General case' 0 CA--C 1.472 -2.023 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 8.1 pt-20 -67.43 -30.51 70.27 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.92 78.2 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 118.245 -1.382 . . . . 0.0 109.545 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.39 68.61 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.156 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.3 mt -65.84 -41.46 91.71 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.801 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.55 63.13 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.5 m -66.23 -41.85 89.46 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.053 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.93 -37.37 92.13 Favored Glycine 0 C--O 1.198 -2.122 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 18.0 t70 -61.64 -47.59 84.7 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 122.856 0.462 . . . . 0.0 112.193 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 94' ' ' THR . 3.2 pp -66.12 -45.36 81.38 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.082 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.14 -27.78 63.81 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.167 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.6 tt -69.52 -37.53 77.17 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -64.73 -33.09 75.15 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.023 174.068 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -70.52 -44.26 67.93 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.546 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.8 mt -55.99 -47.14 78.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.529 0.732 . . . . 0.0 109.517 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.79 -48.82 77.49 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.91 87.41 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 120.693 0.282 . . . . 0.0 110.63 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.96 -34.02 71.03 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.35 -43.59 92.79 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -68.03 -32.87 73.54 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.188 175.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -69.08 -42.23 76.49 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.065 0.936 . . . . 0.0 109.98 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.448 ' HB ' HD21 ' A' ' 54' ' ' LEU . 80.3 t -66.24 -44.72 91.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.694 177.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.625 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.32 -32.84 72.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 174.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 13.9 t70 -70.33 -33.88 72.0 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.846 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.432 -1.332 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.319 -176.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 121.26 0.553 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -65.62 -41.11 93.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.351 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.53 -38.0 89.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.403 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -66.79 -30.88 71.19 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.422 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 3.7 m-30 -84.3 -5.97 59.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.993 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.44 -19.58 60.92 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.92 -30.64 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.265 0.555 . . . . 0.0 110.462 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mm -78.34 -36.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.1 tp10 -59.89 -39.2 84.53 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.523 172.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -65.94 -39.69 90.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.563 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.7 m-85 -61.99 -41.6 98.22 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 121.013 0.435 . . . . 0.0 110.174 173.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.67 -35.32 77.62 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.262 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 51.7 mt -66.36 -45.54 79.8 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 42.4 t-80 -58.48 -45.92 87.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 113.803 -1.544 . . . . 0.0 110.79 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.728 ' HA ' HD11 ' A' ' 53' ' ' LEU . 88.0 mt -62.26 -46.46 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 O-C-N 123.398 0.436 . . . . 0.0 110.21 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -66.03 -37.74 86.63 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -63.53 -35.67 81.26 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.733 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 22.1 mm-40 -70.83 -38.92 73.27 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 123.244 0.34 . . . . 0.0 110.724 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.706 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 21.2 t -60.98 -41.22 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 121.628 0.728 . . . . 0.0 109.085 172.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.37 -43.15 91.65 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 122.137 0.97 . . . . 0.0 110.59 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . 14.5 t70 -69.21 -30.62 68.83 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.814 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.706 ' CD2' ' HA ' ' A' ' 38' ' ' VAL . 4.3 pp -69.92 -35.44 74.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.554 -0.717 . . . . 0.0 111.11 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 43.9 mt-10 -64.15 -31.03 72.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.094 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 40' ' ' ASP . 12.4 ptmm? -100.13 -22.49 15.16 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.3 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.1 m -153.25 -76.51 0.12 Allowed 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -164.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -93.43 64.38 1.91 Allowed Glycine 0 CA--C 1.489 -1.546 0 N-CA-C 115.061 0.785 . . . . 0.0 115.061 -166.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -103.74 18.59 21.59 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.51 -49.87 56.44 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.297 0.57 . . . . 0.0 111.475 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -150.27 -16.19 0.25 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.332 1.063 . . . . 0.0 109.889 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 22.1 mp0 -61.67 -35.86 79.2 Favored 'General case' 0 C--O 1.194 -1.834 0 C-N-CA 125.469 1.508 . . . . 0.0 112.54 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.639 ' HD3' HG12 ' A' ' 109' ' ' VAL . 1.8 tmmm? -63.19 -49.37 74.51 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.09 84.81 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.214 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.461 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 34' ' ' ILE . 40.9 tp -63.92 -37.58 87.93 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 87.4 mt -62.03 -33.29 74.09 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.16 0.505 . . . . 0.0 110.386 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mmt180 -68.39 -36.95 79.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.46 -37.63 86.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.263 4.1 pp -72.31 -29.97 64.35 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 119.964 -0.695 . . . . 0.0 110.772 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -61.62 -39.6 91.87 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-O 121.931 0.872 . . . . 0.0 108.789 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ARG . 44.1 t -67.42 -40.44 84.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.793 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.861 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 21.5 t -59.89 -48.75 80.41 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.235 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 64' ' ' ILE . 12.6 pt-20 -64.49 -29.99 71.02 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.63 76.95 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.861 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.273 5.9 p90 -76.56 -32.49 58.2 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.993 -178.098 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' CA ' ' A' ' 95' ' ' GLY . 14.8 tt -68.21 -34.51 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.308 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.01 -44.6 94.46 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.02 91.14 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.586 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -69.26 -43.63 73.55 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 110.012 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.98 -33.61 72.29 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.055 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.425 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.2 -30.18 77.18 Favored Glycine 0 N--CA 1.433 -1.502 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 173.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.38 -38.86 81.75 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 26.1 m-85 -63.52 -38.93 93.02 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.422 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -56.61 -43.11 79.84 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.45 0.469 . . . . 0.0 109.85 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.9 mpt_? -63.55 -41.96 98.41 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 6.3 mm-40 -64.47 -33.24 75.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.94 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.58 -16.09 63.75 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -103.47 -7.48 20.89 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.13 0.491 . . . . 0.0 111.229 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 74' ' ' GLU . 40.5 mmm-85 -62.03 -42.41 99.14 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m 77.79 -4.77 2.21 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.343 1.057 . . . . 0.0 109.072 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.24 -15.09 59.12 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.962 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -92.1 148.53 22.11 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.385 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -118.34 -162.43 0.89 Allowed 'General case' 1 C--N 1.232 -4.506 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 118.511 0.596 . . . . 0.0 110.472 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.1 -49.27 65.57 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.597 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 25.5 mp0 -70.44 -41.71 72.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.646 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -58.78 -37.77 77.04 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.122 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -65.52 -33.27 75.54 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -74.14 -38.59 63.7 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 124.441 1.096 . . . . 0.0 110.378 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.0 m-85 -70.59 -43.98 68.25 Favored 'General case' 0 CA--C 1.472 -2.041 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.75 -32.36 72.91 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.78 90.74 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.638 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.43 70.22 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.524 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.4 mt -58.63 -42.88 89.31 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 122.038 0.135 . . . . 0.0 110.688 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.01 -39.21 75.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.116 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.7 m -66.51 -43.66 84.69 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.985 0.898 . . . . 0.0 109.348 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.431 ' CA ' HD11 ' A' ' 64' ' ' ILE . . . -68.48 -41.32 85.17 Favored Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.337 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.32 -45.18 89.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.813 0.307 . . . . 0.0 110.481 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.69 -45.0 92.01 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.5 pp -71.4 -27.46 63.33 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.033 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.93 -38.56 79.6 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -66.11 -33.38 75.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.487 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.64 -35.93 67.89 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.833 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.9 mt -58.16 -48.16 81.14 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.301 0.64 . . . . 0.0 110.942 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.438 ' HA ' HE21 ' A' ' 106' ' ' GLN . 22.3 pttp -71.81 -34.71 69.58 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.352 -0.939 . . . . 0.0 112.608 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.55 71.92 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.69 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.83 -38.31 73.21 Favored 'General case' 0 C--O 1.189 -2.094 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.438 HE21 ' HA ' ' A' ' 103' ' ' LYS . 11.1 pt20 -65.13 -31.76 73.11 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.153 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -68.31 -35.33 77.65 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.345 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -67.62 -45.3 75.8 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 109.687 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.639 HG12 ' HD3' ' A' ' 50' ' ' LYS . 69.2 t -67.17 -38.05 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 C-N-CA 123.914 0.886 . . . . 0.0 111.363 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -60.3 -39.85 88.41 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.03 -30.34 65.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.135 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.103 -178.711 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 p -65.06 -30.67 71.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.059 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.613 ' HA ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm0? -62.15 -37.48 85.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.168 178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -80.22 -25.02 39.82 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.352 0.596 . . . . 0.0 110.378 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' A' ' 27' ' ' ILE . 9.4 m-30 -97.31 12.75 31.96 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 22' ' ' GLN . 32.8 m170 -61.8 -39.76 92.85 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.328 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.06 -35.44 78.65 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.116 0.484 . . . . 0.0 110.742 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 64' ' ' ILE . 3.3 mp -75.5 -35.04 31.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 109.461 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.7 tt0 -66.55 -35.06 79.31 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 98.8 mttt -61.77 -41.32 97.55 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.35 -42.51 87.07 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 123.377 0.423 . . . . 0.0 111.097 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 65.8 tp -58.1 -45.75 86.68 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.021 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 27.4 mt -65.93 -42.42 90.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -57.68 -44.33 85.71 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.595 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 90.3 mt -63.41 -45.92 96.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -63.27 -42.54 99.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 121.475 0.655 . . . . 0.0 110.931 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.246 0.546 . . . . 0.0 110.153 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 53' ' ' LEU . 5.9 tp10 -63.31 -31.76 73.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.058 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' ILE . 82.7 t -62.48 -45.83 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.834 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.92 -44.33 93.25 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 121.974 0.892 . . . . 0.0 109.919 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.66 -47.3 85.97 Favored 'General case' 0 C--O 1.191 -1.988 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.134 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.3 pp -64.38 -35.19 80.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.3 mt-10 -69.68 -25.41 63.88 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . 0.358 0.2 OUTLIER -99.21 -12.29 20.55 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 118.469 -1.292 . . . . 0.0 112.769 175.419 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 14.6 m -88.28 -31.18 19.13 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 125.289 1.435 . . . . 0.0 112.17 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.13 -62.62 0.26 Allowed Glycine 0 C--O 1.217 -0.964 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.131 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.272 2.5 p-10 67.58 29.08 7.28 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.443 1.897 . . . . 0.0 113.274 174.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' H ' ' HD3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -68.4 -49.87 56.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.83 0.824 . . . . 0.0 109.465 178.233 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.8 -14.49 4.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.596 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.79 -35.03 75.43 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 124.074 0.95 . . . . 0.0 111.582 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 109' ' ' VAL . 50.7 tptt -62.29 -50.39 71.86 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.508 0.67 . . . . 0.0 109.223 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.03 76.15 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.684 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -61.37 -39.54 91.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.516 0.726 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 37' ' ' GLU . 42.7 tp -69.59 -36.54 76.33 Favored 'General case' 0 N--CA 1.42 -1.96 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.771 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 71.8 mt -62.3 -33.88 75.53 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.189 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -69.35 -33.8 73.63 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.19 -33.0 74.96 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.79 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.275 2.2 pp -74.57 -29.36 61.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.171 177.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 m -61.36 -35.97 78.92 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.01 -38.93 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.193 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.774 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 31.5 m -61.43 -48.47 81.03 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.489 0.662 . . . . 0.0 111.837 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.6 -29.15 69.71 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.417 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.69 96.82 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.047 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.774 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.336 14.9 p90 -72.47 -31.12 65.16 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.419 -1.312 . . . . 0.0 112.018 176.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 98' ' ' LEU . 10.4 mm -59.74 -43.63 91.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.687 171.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.12 -40.34 95.58 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.963 0.411 . . . . 0.0 109.995 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.71 -47.81 89.36 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.252 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -70.59 -33.18 70.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 122.741 -0.27 . . . . 0.0 110.834 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.4 mtp180 -66.53 -46.98 74.33 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.855 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.01 70.35 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.44 -50.03 55.62 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.5 m-85 -65.19 -38.43 90.46 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.249 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.37 -33.68 76.42 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -64.5 -42.58 95.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.61 -30.2 71.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.221 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.37 -16.79 64.35 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.834 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.54 -6.62 13.94 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.19 -29.0 70.43 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.684 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.1 m 80.11 -22.01 0.3 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.419 1.088 . . . . 0.0 110.141 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.16 71.42 10.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.677 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.75 152.63 19.85 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -116.33 172.62 7.08 Favored 'General case' 0 C--N 1.251 -3.693 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.06 -29.84 61.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.708 0.685 . . . . 0.0 109.845 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -50.14 74.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.482 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 41.0 mt-10 -72.34 -40.1 67.66 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.83 -176.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.16 -40.12 73.4 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.62 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.41 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 61.3 t80 -63.96 -32.79 74.45 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.78 0.675 . . . . 0.0 111.589 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.25 -37.7 63.68 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 123.597 0.759 . . . . 0.0 109.178 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.716 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.8 m-85 -70.56 -49.31 49.38 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.319 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.1 pt-20 -66.11 -31.73 72.76 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.71 72.97 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 117.695 -1.602 . . . . 0.0 110.467 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.53 72.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 88.9 mt -59.13 -40.25 84.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.757 0.313 . . . . 0.0 110.162 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.34 -33.35 65.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.02 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.6 m -71.8 -40.66 69.02 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.43 89.93 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.241 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.488 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 20.2 t70 -63.47 -49.07 75.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 120.752 0.311 . . . . 0.0 110.624 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 82.1 mt -60.21 -46.96 87.97 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 64' ' ' ILE . 3.5 pp -71.16 -27.56 63.63 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.907 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.53 -38.76 84.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 1.2 mptm? -69.34 -31.12 69.35 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.728 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 31' ' ' LEU . 13.9 t70 -69.36 -40.43 77.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 105' ' ' LEU . 97.1 mt -55.99 -48.57 75.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.242 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.15 -39.67 87.18 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.088 0.955 . . . . 0.0 111.154 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.4 -41.46 72.96 Favored 'General case' 0 C--O 1.255 1.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.358 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -70.45 -33.28 71.1 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 23.6 tt0 -57.9 -46.59 84.69 Favored 'General case' 0 C--O 1.196 -1.712 0 C-N-CA 123.39 0.676 . . . . 0.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.616 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 4.0 mptp? -68.17 -33.23 74.06 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.084 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -63.08 -50.58 70.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 98.6 t -66.74 -44.12 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.658 -176.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.616 ' HG2' ' HA ' ' A' ' 107' ' ' LYS . 4.0 pt20 -65.38 -31.75 73.02 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.105 0.479 . . . . 0.0 111.637 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -77.74 -27.8 50.54 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.661 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 CA--C 1.551 0.981 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -176.18 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 121.723 0.773 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -28.61 65.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.978 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.84 -40.55 96.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.21 -40.8 97.31 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -103.91 18.42 22.03 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.09 -26.02 68.04 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.707 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 10.2 pt-20 -62.07 -41.11 97.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 110.628 175.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.453 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 12.7 mm -77.42 -35.8 22.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.505 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.06 -36.6 83.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.618 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 15.4 m-85 -65.47 -45.61 83.03 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.71 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 85.8 mt -58.19 -45.93 86.7 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.278 0.362 . . . . 0.0 111.005 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.23 -35.8 80.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.367 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 30.9 t60 -67.84 -45.14 75.47 Favored 'General case' 0 C--O 1.208 -1.084 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.52 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.7 mt -63.25 -36.58 76.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 122.931 0.492 . . . . 0.0 111.416 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -64.67 -39.62 94.0 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.45 -31.48 71.69 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.513 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.0 mm-40 -65.17 -31.52 72.75 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.806 0.442 . . . . 0.0 110.524 173.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.5 t -65.95 -37.67 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -68.36 -35.2 77.38 Favored 'General case' 0 C--O 1.257 1.493 0 CA-C-O 121.704 0.764 . . . . 0.0 110.225 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.83 -42.38 98.96 Favored 'General case' 0 C--O 1.188 -2.16 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 3.9 pp -68.59 -33.57 74.28 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 121.158 0.504 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.3 -24.69 67.74 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.065 0.46 . . . . 0.0 110.718 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.24 16.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.209 -0.932 . . . . 0.0 112.744 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -109.94 -41.01 4.6 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.213 1.005 . . . . 0.0 111.248 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.62 -78.82 0.33 Allowed Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 -175.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.6 m120 50.51 49.03 21.55 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.571 1.148 . . . . 0.0 111.88 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.1 -35.57 79.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.37 -25.51 11.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.522 0.677 . . . . 0.0 110.005 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' OE2' ' HD2' ' A' ' 52' ' ' ARG . 5.5 tp10 -67.8 -35.51 78.78 Favored 'General case' 0 C--O 1.2 -1.517 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.222 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.0 ttpp -55.52 -49.52 72.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.006 0.431 . . . . 0.0 111.197 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.02 79.87 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.022 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.619 ' HD2' ' OE2' ' A' ' 49' ' ' GLU . 44.4 ttm105 -67.15 -40.03 86.63 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.308 0.575 . . . . 0.0 109.472 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.55 -36.79 76.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.311 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.6 mt -64.62 -33.43 75.92 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' THR . 29.0 mmm180 -69.69 -27.87 65.37 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.496 0.665 . . . . 0.0 109.626 176.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 59' ' ' VAL . 38.3 tt0 -70.15 -33.36 71.69 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.398 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.279 3.8 pp -70.81 -30.06 66.4 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 118.662 -1.215 . . . . 0.0 109.709 174.172 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.6 m -61.53 -35.27 77.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.703 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -71.79 -39.54 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 118.297 -1.361 . . . . 0.0 110.256 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.791 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 p -62.14 -29.22 70.19 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.89 1.328 . . . . 0.0 110.798 175.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HB3' ' O ' ' A' ' 58' ' ' THR . 21.1 tt0 -66.03 -39.39 90.15 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 112.569 -2.105 . . . . 0.0 108.193 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.01 85.19 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.936 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.8 m-85 -61.95 -41.71 98.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.31 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 8.0 mm -57.61 -49.52 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.483 175.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.73 -40.98 92.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.994 -174.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.73 96.66 Favored Glycine 0 C--O 1.243 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 50.8 m -69.59 -31.48 69.66 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 115.131 -0.535 . . . . 0.0 110.258 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 50.5 mtm180 -67.55 -38.13 83.7 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.465 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.37 -28.49 73.75 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 174.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . 63.3 t80 -64.65 -46.2 83.51 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -64.67 -39.18 93.22 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.435 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -55.29 -41.07 71.81 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.265 0.353 . . . . 0.0 110.467 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.4 mpt_? -68.32 -37.01 80.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.88 -30.63 71.7 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.261 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.53 -16.47 63.44 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.169 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.77 -6.66 23.38 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.361 0.601 . . . . 0.0 109.715 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' NE ' ' HB2' ' A' ' 79' ' ' ASP . 76.8 ttt180 -65.1 -32.56 74.32 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.094 0.957 . . . . 0.0 111.785 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.4 m 79.03 -26.17 0.18 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.088 0.955 . . . . 0.0 110.655 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HB2' ' NE ' ' A' ' 77' ' ' ARG . 12.9 m-20 -82.58 59.02 4.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.177 0.513 . . . . 0.0 110.121 175.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -156.77 150.74 24.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -128.22 -167.94 1.83 Allowed 'General case' 0 C--N 1.264 -3.127 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.77 -31.27 68.21 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-N 118.783 0.72 . . . . 0.0 111.404 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.75 -49.76 67.26 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 121.586 0.708 . . . . 0.0 112.223 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.79 -39.36 69.95 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.305 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 4.2 tmmm? -63.74 -36.67 84.63 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.565 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -65.28 -33.7 76.6 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.19 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -75.38 -34.04 61.07 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 85' ' ' LYS . 8.9 m-85 -71.7 -39.01 70.48 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -65.45 -33.47 76.01 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.59 65.99 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.214 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.34 -42.46 88.1 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.47 -40.69 87.75 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 122.6 0.36 . . . . 0.0 110.999 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.43 -28.19 63.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.197 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -70.18 -49.65 48.21 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.44 -42.88 88.71 Favored Glycine 0 N--CA 1.422 -2.234 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.155 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.26 -41.12 94.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.917 0.358 . . . . 0.0 111.906 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.44 -43.93 76.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.805 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.48 -26.91 63.83 Favored 'General case' 0 C--O 1.194 -1.841 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.053 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.93 -41.3 97.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -70.38 -31.69 69.04 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 114.164 -1.38 . . . . 0.0 109.935 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.26 -33.52 63.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.447 0.641 . . . . 0.0 110.087 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 105' ' ' LEU . 6.0 tt -60.4 -49.54 77.16 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.456 1.502 . . . . 0.0 109.505 176.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 59.5 mtpt -69.39 -28.25 66.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.35 69.49 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.075 0.464 . . . . 0.0 110.521 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.25 -34.31 72.68 Favored 'General case' 0 C--O 1.191 -1.981 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 57' ' ' LEU . 30.7 tt0 -58.99 -44.59 91.64 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.179 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.7 mmtt -66.93 -34.31 77.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -67.5 -46.06 74.0 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 105' ' ' LEU . 49.1 t -71.62 -38.64 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.074 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -59.17 -44.59 92.15 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.964 0.888 . . . . 0.0 109.573 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.72 -43.87 65.14 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 114.011 -1.45 . . . . 0.0 109.276 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 125.765 1.626 . . . . 0.0 114.578 169.464 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . 0 C--O 1.244 0.805 0 CA-C-O 121.502 0.668 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -51.46 67.25 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.099 -176.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.81 -34.65 77.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.198 0.523 . . . . 0.0 110.956 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -61.84 -30.79 71.08 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.381 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -104.24 -6.32 21.05 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.79 -1.164 . . . . 0.0 112.637 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 30.4 t-80 -61.84 -38.33 87.82 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.44 -29.97 70.9 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.896 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.52 -34.46 14.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 44.9 tt0 -60.7 -46.66 89.52 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.698 0.761 . . . . 0.0 109.656 175.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 8.4 ptmm? -67.03 -35.46 79.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.134 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 34' ' ' ILE . 39.8 t80 -58.85 -42.45 89.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 6.5 tt -58.09 -47.19 83.96 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 124.452 1.101 . . . . 0.0 109.918 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.2 pp -66.77 -34.78 78.59 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.428 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -60.26 -36.16 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.14 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 72.1 mt -65.14 -45.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -60.54 -45.28 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-O 121.042 0.449 . . . . 0.0 110.066 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -63.96 -31.83 73.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.149 0.5 . . . . 0.0 111.394 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.42 -32.19 69.69 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.725 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' ILE . 94.8 t -63.12 -42.54 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.07 -34.54 78.31 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.455 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.33 -47.69 59.9 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.116 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.5 pp -66.95 -33.86 76.5 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.083 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.8 tm-20 -59.79 -42.97 94.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.643 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -12.34 52.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.166 0.984 . . . . 0.0 110.932 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.7 m -91.55 -47.3 7.49 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.099 -1.41 . . . . 0.0 113.575 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.61 -28.63 0.18 Allowed Glycine 0 C--O 1.218 -0.876 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.716 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 58.56 26.91 14.95 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 125.744 1.617 . . . . 0.0 111.941 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -56.18 -50.69 70.5 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.903 -172.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.56 -15.45 0.17 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.913 0.863 . . . . 0.0 110.616 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -35.77 76.19 Favored 'General case' 0 C--O 1.186 -2.274 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.346 -173.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 21.6 tttm -62.7 -49.16 76.19 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.99 87.05 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.642 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -63.11 -44.34 95.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.194 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.43 -34.96 79.12 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.298 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 69.7 mt -65.39 -34.55 78.56 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.424 0.63 . . . . 0.0 109.541 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.6 mmt180 -70.36 -26.4 63.71 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.393 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.13 -32.57 67.06 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.166 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.2 pp -72.45 -30.94 65.03 Favored 'General case' 0 C--O 1.206 -1.226 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.627 174.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.7 m -66.78 -35.49 80.2 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.607 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ARG . 87.1 t -60.5 -38.83 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.855 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.5 m -64.65 -42.97 95.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.537 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 42.6 mt-10 -59.13 -38.03 78.65 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.12 174.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.82 82.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.742 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.855 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.323 6.9 p90 -73.01 -31.07 64.24 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 118.147 -1.421 . . . . 0.0 111.986 177.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 18.7 mm -58.48 -50.24 79.49 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.188 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.11 -44.86 94.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.911 0.484 . . . . 0.0 111.7 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.43 95.72 Favored Glycine 0 C--O 1.24 0.471 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.649 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 m -70.77 -31.62 68.47 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.554 0.693 . . . . 0.0 109.184 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 58.8 ttt180 -66.59 -46.37 76.18 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.453 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -68.72 -23.38 75.59 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.28 -46.63 60.42 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 26.9 m-85 -65.47 -39.95 92.56 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.78 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 6.5 tp-100 -54.34 -43.28 71.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.879 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.2 mpt_? -65.32 -37.8 88.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 32.9 mt-10 -64.4 -36.19 83.36 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 176.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.66 -20.74 66.41 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.167 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 74.6 mmtt -82.52 -17.2 45.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 10.5 mmm180 -65.92 -55.19 18.17 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m 73.11 -4.2 2.24 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.576 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.71 -22.4 66.97 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.059 0.933 . . . . 0.0 109.996 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 4.8 mp -43.39 171.12 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 128.838 2.855 . . . . 0.0 113.908 172.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.48 170.44 14.21 Favored 'General case' 1 C--N 1.236 -4.35 0 CA-C-N 110.11 -3.223 . . . . 0.0 104.489 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.62 -31.02 61.92 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.553 1.141 . . . . 0.0 110.679 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.29 -49.09 62.89 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.15 77.78 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.441 -177.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 71.4 t80 -64.3 -35.27 80.32 Favored 'General case' 0 C--O 1.2 -1.53 0 CA-C-O 120.867 0.365 . . . . 0.0 111.671 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -75.0 -32.62 61.7 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 123.512 0.725 . . . . 0.0 110.731 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.0 m-85 -73.76 -46.2 47.14 Favored 'General case' 0 CA--C 1.46 -2.49 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.4 pt-20 -67.51 -30.95 70.76 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.06 90.69 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.314 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -71.49 -37.19 71.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.421 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -63.14 -35.59 80.8 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.82 -39.2 73.18 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.171 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.1 m -71.79 -41.64 68.08 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-O 121.66 0.743 . . . . 0.0 109.111 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 -41.14 96.16 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.189 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 25.6 t70 -64.21 -42.61 96.54 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 88.4 mt -64.39 -47.4 79.37 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.352 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -71.51 -27.94 63.56 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.34 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.99 -45.46 77.52 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 11.1 ptmm? -66.65 -32.8 74.35 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.52 177.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.38 -30.89 60.31 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 119.335 -0.946 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.3 mt -60.11 -50.54 73.3 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.16 0.584 . . . . 0.0 109.859 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 16.5 ptmt -71.64 -27.41 63.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.403 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.16 71.04 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 121.224 0.535 . . . . 0.0 110.148 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.04 -34.33 73.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.493 ' NE2' HD11 ' A' ' 57' ' ' LEU . 35.5 tt0 -60.08 -37.69 80.69 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.1 mmtt -65.18 -35.06 79.89 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.4 -46.82 68.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 121.358 0.599 . . . . 0.0 110.046 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 54' ' ' LEU . 60.8 t -65.02 -39.29 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.21 -43.25 99.26 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.992 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.09 -35.63 81.36 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.216 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 123.539 0.735 . . . . 0.0 111.566 -177.242 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.812 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 p -65.1 -36.8 85.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -68.72 -34.75 76.16 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.0 tpp180 -63.93 -32.41 73.93 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.731 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 21.4 m-85 -113.23 36.28 3.61 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.66 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -77.57 -38.34 48.6 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.777 0.798 . . . . 0.0 109.679 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.88 -34.54 73.69 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.906 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.87 -40.79 86.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -60.28 -43.14 96.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.751 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.42 -44.57 96.1 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.63 -48.3 82.4 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 123.052 0.22 . . . . 0.0 111.453 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.7 -45.22 89.99 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 123.052 0.22 . . . . 0.0 110.467 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.85 -35.66 74.9 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.294 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 43.9 t-80 -60.5 -50.75 72.31 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 57' ' ' LEU . 96.5 mt -63.79 -45.39 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.741 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 20.9 m -63.32 -42.41 99.0 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-O 121.522 0.677 . . . . 0.0 110.065 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.567 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 13.7 t60 -70.62 -31.56 68.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.483 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 42.4 mm-40 -65.92 -31.58 72.6 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.564 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 34' ' ' ILE . 63.4 t -60.34 -40.61 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 53.1 m-20 -61.47 -41.77 97.75 Favored 'General case' 0 C--O 1.259 1.577 0 CA-C-O 122.176 0.988 . . . . 0.0 109.762 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.32 -47.64 67.01 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.237 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.2 pp -68.95 -33.83 74.36 Favored 'General case' 0 N--CA 1.424 -1.764 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.098 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.56 -33.87 76.93 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -11.82 49.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.154 0.978 . . . . 0.0 110.562 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 6.3 m -93.06 -47.27 7.06 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.523 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -27.07 2.86 Favored Glycine 0 C--N 1.308 -0.978 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.37 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 56.4 37.38 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.018 1.727 . . . . 0.0 113.302 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -56.08 -24.27 39.0 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' H ' ' H ' ' A' ' 49' ' ' GLU . 35.7 t70 -156.4 -21.13 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.614 0.721 . . . . 0.0 110.581 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' A' ' 48' ' ' ASP . 26.6 mm-40 -61.4 -37.43 83.42 Favored 'General case' 0 C--O 1.193 -1.883 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.027 -173.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.9 ttpp -68.36 -50.67 51.5 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.369 -0.932 . . . . 0.0 112.764 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.17 81.0 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.762 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 75.7 ttt180 -67.29 -40.11 86.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 34' ' ' ILE . 41.4 tp -65.02 -35.63 81.81 Favored 'General case' 0 N--CA 1.424 -1.727 0 C-N-CA 123.131 0.572 . . . . 0.0 110.975 175.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 89.9 mt -63.13 -32.64 74.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.819 0.818 . . . . 0.0 109.843 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 59' ' ' VAL . 43.7 ttm180 -68.41 -35.06 77.1 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.669 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.6 -40.07 95.75 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.5 pp -71.0 -31.78 68.4 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.668 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.7 m -62.43 -42.41 99.43 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.997 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.6 t -66.57 -41.72 88.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.822 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.4 m -60.48 -40.26 90.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.029 0.919 . . . . 0.0 110.979 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HG3' ' HE3' ' A' ' 103' ' ' LYS . 2.0 tm-20 -66.1 -32.1 73.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.53 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.43 70.64 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.497 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.822 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.367 6.3 p90 -76.52 -30.7 57.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 118.63 -1.228 . . . . 0.0 112.807 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -66.63 -34.76 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.74 -38.67 89.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.306 0.574 . . . . 0.0 109.459 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.31 90.2 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.95 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -70.44 -32.0 69.4 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.492 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -67.03 -43.27 83.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.077 0.465 . . . . 0.0 109.904 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.95 -23.98 69.79 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.29 -48.21 57.69 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 56.8 m-85 -65.45 -39.36 91.94 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.209 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.0 -42.0 79.48 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.853 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.66 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 10.6 mpt_? -65.8 -39.01 90.5 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.673 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.99 -33.56 74.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.817 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.39 -19.67 65.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.925 0.393 . . . . 0.0 111.329 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -108.14 -5.84 16.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.28 0.562 . . . . 0.0 110.495 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -67.93 -24.41 65.19 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.389 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.5 m 77.46 -31.23 0.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.36 1.064 . . . . 0.0 110.349 -172.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.59 68.06 3.61 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.402 0.62 . . . . 0.0 111.11 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.6 pt? -160.58 146.53 15.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.954 175.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -108.19 171.59 7.32 Favored 'General case' 0 C--N 1.251 -3.678 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.3 pp -53.89 -30.23 45.1 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 118.398 0.545 . . . . 0.0 110.559 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 82' ' ' LEU 0.266 13.9 tp -61.28 -49.3 77.6 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.991 0.901 . . . . 0.0 111.705 177.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 40.0 mt-10 -71.24 -40.46 71.03 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.439 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.02 -37.89 75.16 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.64 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.51 -39.76 92.18 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.555 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.51 -35.04 63.18 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.633 0.773 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 7.9 m-85 -69.47 -44.96 70.12 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.04 -32.18 72.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.47 79.8 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.479 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -68.85 -43.87 74.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.024 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 93.1 mt -56.52 -41.64 77.07 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.127 0.171 . . . . 0.0 110.699 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' HD23 ' A' ' 97' ' ' LEU . . . -71.22 -33.3 69.76 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.1 m -69.06 -48.68 62.16 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -64.89 -45.41 92.57 Favored Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.4 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.04 -44.77 94.42 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 93' ' ' ALA . 1.5 pp -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.039 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.2 -26.77 63.09 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.558 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -68.81 -41.78 78.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -68.49 -32.85 73.13 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.291 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.4 -37.28 74.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.411 0.624 . . . . 0.0 110.168 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 105' ' ' LEU . 32.2 tp -60.65 -48.63 80.91 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 125.77 1.628 . . . . 0.0 109.237 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.47 ' HE3' ' HG3' ' A' ' 61' ' ' GLU . 30.3 mmtp -69.2 -33.37 73.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.4 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.99 -39.08 83.32 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.436 0.636 . . . . 0.0 109.518 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.3 -33.23 71.29 Favored 'General case' 0 C--O 1.181 -2.532 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 57' ' ' LEU . 28.3 tt0 -58.22 -47.69 82.7 Favored 'General case' 0 C--O 1.195 -1.813 0 CA-C-O 119.093 -0.479 . . . . 0.0 111.481 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.04 -32.46 73.95 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.383 0.611 . . . . 0.0 110.772 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 63.2 ttt180 -66.55 -50.02 64.54 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.487 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' SER . 66.2 t -70.74 -37.51 69.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 121.627 0.727 . . . . 0.0 111.727 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -55.88 -38.54 70.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.923 0.889 . . . . 0.0 109.312 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.54 -48.76 10.63 Favored 'General case' 0 N--CA 1.432 -1.346 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.103 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 109' ' ' VAL . 12.6 t . . . . . 0 N--CA 1.48 1.06 0 C-N-CA 126.404 1.882 . . . . 0.0 114.473 172.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 120.785 0.326 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -66.74 -43.28 84.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -36.35 83.62 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.563 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.66 -31.0 71.4 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.802 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -85.95 -8.62 57.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 0.0 111.318 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.98 -22.3 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 20.1 mm-40 -68.24 -31.7 71.37 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.881 0.848 . . . . 0.0 109.143 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 mm -80.52 -34.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.48 -44.77 92.95 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.468 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 62.8 pttt -66.34 -36.96 84.24 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.082 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' O ' HG13 ' A' ' 34' ' ' ILE . 5.8 m-85 -59.38 -43.46 92.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.398 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.91 -47.19 83.54 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 122.942 0.497 . . . . 0.0 110.596 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.78 -35.82 75.21 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.343 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.3 t60 -60.36 -47.02 87.85 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.478 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.1 mt -62.34 -46.21 96.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 123.178 0.299 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 m -60.7 -37.53 81.97 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 121.347 0.594 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -67.45 -38.47 84.54 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 18.6 mm-40 -63.91 -32.94 74.65 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 34' ' ' ILE . 42.0 t -64.67 -46.39 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.09 -39.0 92.56 Favored 'General case' 0 C--O 1.27 2.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.476 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 11.2 t70 -63.96 -47.29 80.99 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.212 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.4 pp -67.54 -34.69 77.59 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 5.2 mm-40 -61.55 -27.56 68.71 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -102.24 -28.58 12.2 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 116.452 -2.099 . . . . 0.0 110.673 174.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -69.73 -35.7 75.22 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.999 0.92 . . . . 0.0 113.039 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.6 -56.57 0.18 Allowed Glycine 0 C--N 1.313 -0.709 0 C-N-CA 119.062 -1.542 . . . . 0.0 114.366 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 64.6 t30 74.9 29.08 1.04 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.894 1.278 . . . . 0.0 108.319 -176.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.85 -50.61 61.98 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.667 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -152.1 13.42 0.59 Allowed 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 123.257 1.503 . . . . 0.0 107.215 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -72.13 -35.64 69.16 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 111.767 -2.469 . . . . 0.0 110.725 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 5.6 tptm -63.59 -49.08 74.76 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.81 86.28 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.73 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -59.78 -45.63 91.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.873 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.8 tp -70.07 -32.98 71.34 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-O 121.321 0.582 . . . . 0.0 111.648 -177.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 51.4 mt -67.53 -32.41 73.18 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.962 0.886 . . . . 0.0 110.155 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -67.76 -36.64 80.88 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.1 tp10 -62.54 -40.67 97.55 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.623 176.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -70.38 -30.1 66.92 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.515 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 m -62.06 -36.0 80.31 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -38.42 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -59.88 -42.51 93.92 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.603 0.716 . . . . 0.0 110.36 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 6.9 tp10 -59.17 -40.07 84.47 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.028 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.13 99.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.186 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.857 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.378 7.1 p90 -75.16 -31.63 61.07 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.415 -1.314 . . . . 0.0 113.154 177.011 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -61.67 -42.34 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.218 171.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 54.8 mt-10 -55.34 -45.92 76.4 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.347 0.404 . . . . 0.0 110.469 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.14 96.48 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.612 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 -39.9 68.42 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -69.6 -44.05 71.52 Favored 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.663 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -61.33 -28.59 69.59 Favored Glycine 0 N--CA 1.413 -2.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.373 177.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.3 t80 -67.86 -51.75 44.7 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.1 m-85 -61.32 -38.81 88.23 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.597 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.32 -34.68 75.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.3 mtp180 -69.15 -36.85 77.86 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.468 0.651 . . . . 0.0 109.444 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 13.6 mm-40 -65.66 -30.17 70.83 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.855 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.57 -15.35 63.2 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.224 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 21.1 ptmt -109.08 -5.57 15.95 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 74' ' ' GLU . 11.2 mtm180 -62.16 -18.81 62.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m 73.33 -33.18 0.26 Allowed 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 124.446 1.098 . . . . 0.0 111.217 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 77' ' ' ARG . 18.7 t70 -55.15 -34.3 63.68 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 126.741 2.016 . . . . 0.0 112.914 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -72.02 156.98 38.63 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.753 1.264 . . . . 0.0 110.193 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' ' HG ' ' A' ' 82' ' ' LEU . 13.8 t70 -126.18 -173.7 2.92 Favored 'General case' 1 C--N 1.239 -4.201 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 174.4 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.427 ' HG ' ' OD1' ' A' ' 81' ' ' ASP . 3.3 pp -57.93 -29.16 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -60.98 -50.73 72.2 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 123.519 0.512 . . . . 0.0 111.604 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 45.9 mt-10 -72.46 -41.33 66.2 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.74 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.38 -36.54 73.68 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.924 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 87.1 t80 -64.71 -33.08 75.12 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 121.927 0.87 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -74.44 -38.02 63.12 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 124.989 1.316 . . . . 0.0 108.997 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.3 m-85 -72.65 -44.78 61.42 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.318 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 13.3 pt-20 -65.91 -32.3 73.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.46 80.41 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.58 74.17 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.492 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.9 mt -59.63 -40.58 88.09 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 122.386 0.274 . . . . 0.0 110.391 178.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.71 -31.71 68.67 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.37 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -68.98 -45.46 70.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.79 -39.64 89.87 Favored Glycine 0 N--CA 1.423 -2.232 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.662 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.12 -38.45 78.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 117.277 0.539 . . . . 0.0 110.925 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.2 mt -69.32 -43.38 73.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.955 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.97 -31.17 67.64 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.339 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.1 tt -65.11 -39.83 93.67 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -32.02 66.49 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.14 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.5 -31.2 62.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 118.018 -1.473 . . . . 0.0 108.766 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 105' ' ' LEU . 3.1 tm? -59.86 -50.02 75.44 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.024 1.73 . . . . 0.0 108.869 177.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 34.2 mmtp -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.53 70.83 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -70.57 -35.38 73.03 Favored 'General case' 0 C--O 1.187 -2.234 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 29.7 tt0 -65.62 -37.06 85.51 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 123.327 0.392 . . . . 0.0 110.141 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.0 mmtt -66.62 -35.33 79.93 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 105' ' ' LEU . 77.0 mtm180 -67.91 -39.75 83.53 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 54' ' ' LEU . 71.8 t -65.66 -40.57 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.053 0.454 . . . . 0.0 110.948 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 28.0 mm-40 -63.08 -40.6 98.14 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.24 -16.28 60.96 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.991 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.319 -0.722 0 CA-C-O 121.331 0.586 . . . . 0.0 109.548 175.618 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 23' ' ' ARG . . . . . . . . 0 C--O 1.241 0.646 0 CA-C-O 121.228 0.537 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 p -71.77 -34.9 69.84 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.05 -38.14 78.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.094 0.958 . . . . 0.0 109.697 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 1.3 tpm_? -62.69 -48.25 80.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.471 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -97.75 12.3 34.27 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.143 -1.023 . . . . 0.0 112.451 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 37.1 t-80 -68.75 -33.29 73.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.075 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 36.4 mt-10 -62.69 -42.33 99.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.783 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 2.6 mp -69.55 -34.07 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.596 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' HIS . 18.8 tt0 -58.65 -45.63 88.9 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.436 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD3' ' CE1' ' A' ' 25' ' ' HIS . 19.4 mmmt -66.08 -38.81 89.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.288 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 17.3 m-85 -58.45 -48.31 81.16 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 175.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 75.2 mt -61.71 -42.65 99.23 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -70.05 -38.45 75.81 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.961 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 32' ' ' LEU . 8.7 t-160 -63.67 -41.68 98.15 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.014 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 62.2 mt -65.12 -43.33 95.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 C-N-CA 123.03 0.532 . . . . 0.0 111.246 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -62.17 -41.7 98.57 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 121.504 0.669 . . . . 0.0 109.423 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -66.48 -37.95 86.22 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.571 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.4 tp10 -60.51 -45.02 95.35 Favored 'General case' 0 C--O 1.188 -2.135 0 C-N-CA 124.321 1.048 . . . . 0.0 108.975 178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' ILE . 87.7 t -58.64 -40.83 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 C-N-CA 124.172 0.989 . . . . 0.0 109.521 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 13.6 t70 -68.2 -38.27 81.79 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.034 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.44 -30.05 61.73 Favored 'General case' 0 C--O 1.192 -1.954 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.634 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 50.3 mt -68.32 -40.8 81.51 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 34.9 tt0 -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.344 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -87.74 -15.8 36.01 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.621 1.569 . . . . 0.0 110.717 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -113.0 -50.47 2.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.03 -65.44 0.05 OUTLIER Glycine 0 C--N 1.294 -1.801 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t30 72.32 18.47 4.62 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 122.651 1.215 . . . . 0.0 108.874 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 7.3 mtmp? -67.71 -49.8 60.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.446 -175.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.83 -23.47 0.94 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.423 -171.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.94 -36.11 78.48 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -62.2 -47.44 84.46 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -177.57 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.39 96.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.143 0.497 . . . . 0.0 110.748 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -68.24 -38.61 81.99 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.801 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD11 HG12 ' A' ' 34' ' ' ILE . 50.9 tp -64.02 -37.29 86.91 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.018 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 50' ' ' LYS . 20.6 mt -65.39 -33.41 75.9 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.504 0.669 . . . . 0.0 111.068 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.2 mtp180 -66.23 -36.23 82.47 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -64.73 -35.65 81.75 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.136 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HA ' ' OG ' ' A' ' 60' ' ' SER 0.321 2.8 pp -74.13 -30.81 62.48 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 119.12 -1.032 . . . . 0.0 111.199 174.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 11.3 m -62.53 -34.97 77.97 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-O 121.966 0.888 . . . . 0.0 109.314 175.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' ARG . 60.0 t -71.16 -45.86 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.241 176.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.801 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 2.6 p -62.7 -29.68 70.84 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 122.697 1.237 . . . . 0.0 111.364 176.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' THR . 35.0 tt0 -65.15 -40.72 94.78 Favored 'General case' 0 C--N 1.28 -2.425 0 CA-C-N 112.702 -2.044 . . . . 0.0 108.184 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.13 71.08 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.956 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.801 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.4 m-85 -67.07 -42.94 83.85 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.63 -50.84 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 123.172 0.295 . . . . 0.0 110.542 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.63 -41.81 83.3 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.96 87.89 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.33 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.6 t -70.21 -32.3 70.13 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' A' ' 96' ' ' ASP . 14.7 mtp180 -69.04 -34.04 74.56 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.772 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -66.41 -27.0 72.81 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 173.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' SER . 48.4 t80 -69.99 -46.38 65.28 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -62.89 -38.38 90.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.399 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 96.6 mt-30 -59.54 -38.76 81.9 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.0 mmm180 -69.47 -33.25 72.63 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.15 0.5 . . . . 0.0 110.073 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.72 -31.96 72.25 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.402 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.6 mt -71.12 -15.94 62.53 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 31.1 mmmt -93.31 -6.55 47.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 0.0 110.56 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 79' ' ' ASP . 47.9 mtp180 -56.28 -40.28 74.01 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m 74.11 -38.24 0.39 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.386 1.074 . . . . 0.0 109.259 -171.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 29.9 t70 -86.72 77.1 9.39 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.824 0.821 . . . . 0.0 109.675 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -151.15 157.91 43.31 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -130.11 -178.29 4.67 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -55.17 -31.04 61.05 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 118.566 0.621 . . . . 0.0 110.989 179.234 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.64 -48.47 79.37 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 123.938 0.895 . . . . 0.0 112.154 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.8 mm-40 -70.4 -45.07 66.67 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.992 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -56.13 -38.24 70.55 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.068 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.44 -36.73 85.11 Favored 'General case' 0 C--O 1.187 -2.202 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -73.7 -35.42 65.13 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 122.798 0.439 . . . . 0.0 110.427 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.688 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.0 m-85 -75.52 -46.29 33.07 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.86 -31.67 72.44 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.44 -40.88 73.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.567 -1.253 . . . . 0.0 110.371 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.56 69.64 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.478 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 78.8 mt -58.88 -43.18 90.86 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -68.17 -36.9 80.35 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.436 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.8 m -68.92 -46.43 68.31 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.07 -43.95 96.52 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.904 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.504 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 37.8 t70 -66.52 -37.55 85.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.129 0.464 . . . . 0.0 111.867 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 70.5 mt -64.76 -49.47 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.7 -27.32 63.9 Favored 'General case' 0 C--O 1.191 -1.981 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.244 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.95 -41.98 77.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 97' ' ' LEU . 18.1 ptmt -71.27 -31.85 67.98 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.42 -33.09 69.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.308 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.499 HD21 HD13 ' A' ' 57' ' ' LEU . 6.9 tt -60.72 -50.31 74.0 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.331 1.452 . . . . 0.0 109.649 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -61.63 -39.54 91.69 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.42 78.54 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.5 -36.89 74.05 Favored 'General case' 0 C--O 1.172 -3.007 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.43 -44.63 95.57 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.232 0.613 . . . . 0.0 111.637 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.72 -33.65 76.1 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.366 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -69.1 -46.55 67.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.945 0.879 . . . . 0.0 109.444 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 50' ' ' LYS . 42.2 t -65.02 -39.85 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.729 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -64.85 -36.67 85.08 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.68 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.02 -30.78 70.96 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.058 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.8 m . . . . . 0 CA--C 1.552 1.025 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.771 0.796 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -72.41 -28.5 63.01 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.284 -175.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.88 -37.91 87.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.73 -29.07 64.13 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.075 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.95 21.49 13.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.857 0.837 . . . . 0.0 110.123 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -85.35 -18.77 32.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.296 0.57 . . . . 0.0 109.712 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.203 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG21 HD11 ' A' ' 64' ' ' ILE . 7.8 tp -72.13 -33.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.538 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -47.74 84.31 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.653 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.28 -35.86 81.47 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.331 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.8 t80 -65.11 -46.2 82.02 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 32' ' ' LEU . 3.8 pp -67.78 -35.85 79.42 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 31' ' ' LEU . 4.4 pp -70.26 -35.35 73.71 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.38 -0.928 . . . . 0.0 110.393 176.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 51.1 t-80 -62.17 -39.55 93.01 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.366 175.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 30' ' ' PHE . 55.9 mt -61.58 -40.72 87.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 C-N-CA 123.014 0.525 . . . . 0.0 110.374 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -63.25 -41.5 99.06 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.377 0.608 . . . . 0.0 109.535 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -69.69 -33.54 72.67 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.908 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 32.9 mm-40 -63.45 -32.35 73.76 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.0 t -64.0 -50.55 76.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -60.7 -42.86 98.04 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.095 0.95 . . . . 0.0 110.143 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 44' ' ' THR . 39.1 t70 -63.42 -47.44 81.96 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.573 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -66.94 -33.96 76.73 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 123.021 0.2 . . . . 0.0 110.764 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.14 -39.26 81.85 Favored 'General case' 0 N--CA 1.431 -1.377 0 O-C-N 123.702 0.626 . . . . 0.0 112.507 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -93.98 -23.61 17.98 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 115.861 -2.336 . . . . 0.0 111.04 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 2.9 m -84.55 -29.64 25.73 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.94 -56.74 0.18 Allowed Glycine 0 C--N 1.316 -0.558 0 C-N-CA 118.323 -1.894 . . . . 0.0 114.322 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 2.6 p-10 59.45 24.4 13.04 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 125.82 1.648 . . . . 0.0 112.01 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -56.38 -50.11 72.52 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.444 1.097 . . . . 0.0 112.057 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -138.2 -4.02 1.72 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 46' ' ' ASN . 16.8 mt-10 -63.04 -35.22 79.52 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 112.641 -2.072 . . . . 0.0 112.073 -170.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 12.5 tptm -62.25 -50.0 73.47 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -41.6 84.73 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.279 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 49' ' ' GLU . 19.0 ttm180 -59.84 -44.27 94.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.195 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.3 tp -70.47 -34.19 72.11 Favored 'General case' 0 N--CA 1.41 -2.433 0 CA-C-O 121.242 0.544 . . . . 0.0 111.336 -177.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 61.5 mt -68.24 -33.44 74.41 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.079 175.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.2 tpt180 -69.71 -32.26 70.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.4 tp10 -62.11 -38.88 90.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.125 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.3 pp -72.98 -33.13 65.63 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.755 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.5 m -62.33 -37.01 83.97 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 121.766 0.793 . . . . 0.0 109.896 175.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' ARG . 67.6 t -70.97 -43.45 76.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.074 0.464 . . . . 0.0 109.755 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.827 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 31.0 p -63.54 -29.6 70.84 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.98 1.371 . . . . 0.0 110.984 177.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 58' ' ' THR . 32.4 tt0 -67.24 -38.05 84.54 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.719 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.91 -31.83 72.69 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.282 177.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.827 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.3 m-85 -65.74 -37.53 86.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 175.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 27' ' ' ILE . 14.4 mm -61.92 -43.42 97.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.731 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.52 -38.11 86.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.992 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.37 85.47 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.123 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 12.6 p -73.61 -36.62 65.51 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.376 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -69.48 -33.81 73.43 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.501 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.48 73.51 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' SER . 40.8 t80 -67.67 -48.92 65.26 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.1 m-85 -60.65 -39.15 87.28 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.313 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -57.32 -49.13 77.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -71.82 -31.95 67.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 117.577 -1.649 . . . . 0.0 111.875 177.087 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp10 -67.0 -29.29 69.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.292 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.76 -18.61 65.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.336 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -91.99 -6.85 50.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.857 0.463 . . . . 0.0 112.115 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.3 mmt180 -64.38 -30.74 71.77 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m 73.35 -17.95 0.4 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 124.325 1.05 . . . . 0.0 111.549 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 10.8 m-20 -60.17 -41.8 93.6 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.914 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD13 ' HE2' ' A' ' 88' ' ' PHE . 2.4 pt? -60.52 152.0 27.07 Favored 'General case' 0 CA--C 1.483 -1.603 0 CA-C-O 123.098 1.428 . . . . 0.0 109.113 175.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -109.44 176.2 5.17 Favored 'General case' 1 C--N 1.215 -5.282 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.5 -30.77 63.38 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.309 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.6 mm-40 -73.09 -32.3 64.91 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 121.361 0.6 . . . . 0.0 111.373 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' HB2' HD12 ' A' ' 80' ' ' LEU . 37.9 ttmt -58.04 -37.03 73.6 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -67.6 -32.42 73.13 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.407 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -73.33 -42.0 62.82 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 125.932 1.693 . . . . 0.0 108.218 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.1 m-85 -73.51 -36.33 65.73 Favored 'General case' 0 CA--C 1.476 -1.903 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.78 -37.92 89.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.55 67.38 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.137 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.41 88.46 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.716 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -60.81 -40.04 91.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.48 -26.9 61.98 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 123.668 0.605 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 m -72.64 -49.63 30.51 Favored 'General case' 0 N--CA 1.421 -1.88 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.92 -41.1 95.59 Favored Glycine 0 C--O 1.204 -1.741 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.93 -46.21 79.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.726 0.298 . . . . 0.0 111.063 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.19 -39.89 78.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.98 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.6 pp -71.63 -27.58 63.19 Favored 'General case' 0 C--O 1.203 -1.365 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.668 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.35 -40.44 93.62 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -66.35 -33.11 74.99 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.433 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.34 -34.9 65.88 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 95.0 mt -58.48 -50.05 75.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.263 0.625 . . . . 0.0 109.614 175.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -65.96 -30.61 71.2 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.304 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.15 -44.75 64.91 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -69.82 -33.98 73.05 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -42.62 95.54 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.925 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.77 81.07 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -68.89 -45.97 69.59 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 122.848 0.459 . . . . 0.0 109.85 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 105' ' ' LEU . 57.7 t -67.39 -39.65 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.283 0.563 . . . . 0.0 109.911 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.8 -33.25 73.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.182 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.93 -31.78 61.61 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.701 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.543 0.695 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.651 179.141 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 45.8 t30 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.749 0.309 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.0 p -66.4 -40.64 89.73 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 122.847 0.459 . . . . 0.0 112.228 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.11 89.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.215 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -69.48 -38.18 77.58 Favored 'General case' 0 N--CA 1.42 -1.931 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 77.5 mt-30 -62.45 -39.67 94.14 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -62.6 -45.28 93.6 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.038 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' HG13 ' A' ' 64' ' ' ILE . 19.4 m-85 -99.41 10.73 40.85 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.858 -1.137 . . . . 0.0 113.505 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 85.1 t60 -69.23 -18.99 63.94 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.126 173.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.69 -45.13 87.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.794 0.807 . . . . 0.0 109.238 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 27' ' ' ILE . 3.0 mp -74.09 -33.49 35.75 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 31' ' ' LEU . 39.1 tt0 -59.76 -36.2 76.16 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.574 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 29.7 mtpp -64.29 -44.52 91.41 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.95 -40.88 86.02 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.611 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 28' ' ' GLU . 96.5 mt -58.07 -47.91 81.73 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.483 0.182 . . . . 0.0 111.212 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -69.61 -37.22 76.79 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.748 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 58.3 t60 -65.17 -48.19 74.35 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.348 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 38' ' ' VAL . 67.7 mt -67.2 -40.7 85.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 122.693 0.397 . . . . 0.0 111.701 -175.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.3 m -62.25 -43.85 97.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -60.26 -45.71 92.36 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.35 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 30.4 mm-40 -62.08 -32.9 73.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.766 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 89.4 t -63.06 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.35 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.75 -44.0 97.76 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.31 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 25.1 t70 -60.61 -47.95 83.96 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.927 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.3 -34.65 76.53 Favored 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.695 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 52.8 mt-10 -61.81 -30.04 70.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -103.66 -13.52 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 118.956 -1.098 . . . . 0.0 111.649 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -94.17 -41.62 9.4 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.529 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.13 -68.4 0.02 OUTLIER Glycine 0 C--N 1.314 -0.651 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.237 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.5 t30 75.73 13.24 2.9 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.633 1.173 . . . . 0.0 109.363 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.93 -50.32 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.039 -175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -146.74 -18.26 0.42 Allowed 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.784 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.62 -35.49 76.29 Favored 'General case' 0 C--O 1.195 -1.771 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.832 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' HG2' ' A' ' 113' ' ' GLU . 26.9 tptt -58.56 -51.02 71.66 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 123.8 0.687 . . . . 0.0 110.33 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -43.64 84.39 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -61.0 -44.89 96.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.505 178.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.88 -37.39 87.2 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-O 121.188 0.518 . . . . 0.0 111.518 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.493 HD21 ' HB ' ' A' ' 109' ' ' VAL . 73.9 mt -64.58 -33.14 75.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.52 0.676 . . . . 0.0 110.819 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.7 mmt180 -69.71 -29.81 67.3 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.471 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.55 -35.87 78.01 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.7 pp -70.26 -30.59 67.66 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.271 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 51.3 m -62.68 -40.67 97.84 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.209 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.8 t -66.39 -40.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 175.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.798 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 27.1 m -59.31 -48.81 80.24 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.895 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -64.27 -30.41 71.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.705 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.76 87.42 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.798 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.262 10.0 p90 -76.57 -34.8 58.45 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 118.265 -1.374 . . . . 0.0 111.736 -178.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.436 HG13 ' CE1' ' A' ' 24' ' ' PHE . 12.2 tt -68.24 -36.44 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 119.186 -1.006 . . . . 0.0 111.405 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.48 -37.93 89.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.75 -42.8 98.47 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -68.4 -31.16 70.32 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 122.257 -0.555 . . . . 0.0 110.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -40.54 89.72 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-O 121.093 0.473 . . . . 0.0 109.787 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -62.81 -27.7 70.53 Favored Glycine 0 N--CA 1.424 -2.156 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.892 174.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -71.03 -41.88 70.26 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -65.09 -39.72 93.58 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.346 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.12 -35.78 74.05 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.502 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.566 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.88 -43.73 71.22 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' HB2' ' A' ' 77' ' ' ARG . 25.6 mt-10 -63.95 -29.39 70.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 0.0 112.296 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.4 tt -60.25 -25.21 65.49 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 124.082 0.953 . . . . 0.0 109.655 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -102.38 -6.79 22.62 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.806 0.842 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 75.6 ttt180 -66.04 -22.9 66.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.611 0.765 . . . . 0.0 113.056 -171.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.0 m 73.35 -32.68 0.25 Allowed 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.668 0.787 . . . . 0.0 110.564 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 27.4 t70 -83.29 67.86 9.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.546 1.165 . . . . 0.0 109.446 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -155.07 153.23 30.58 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.97 173.04 6.52 Favored 'General case' 1 C--N 1.24 -4.155 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.1 pp -55.42 -30.03 59.69 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.291 0.496 . . . . 0.0 109.875 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 82' ' ' LEU . 3.0 tm? -57.69 -49.98 74.72 Favored 'General case' 0 CA--C 1.512 -0.515 0 C-N-CA 124.303 1.041 . . . . 0.0 109.833 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 42.2 mt-10 -71.79 -37.13 70.47 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.269 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -59.37 -39.76 84.31 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.044 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -65.12 -32.51 74.24 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.363 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -36.81 69.19 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.601 0.761 . . . . 0.0 109.883 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.2 m-85 -71.11 -45.87 62.82 Favored 'General case' 0 CA--C 1.466 -2.256 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.14 -33.3 75.47 Favored 'General case' 0 N--CA 1.423 -1.817 0 O-C-N 123.751 0.657 . . . . 0.0 110.264 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.68 -44.8 63.6 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 118.526 -1.27 . . . . 0.0 110.127 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.11 74.08 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.206 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -61.95 -38.96 90.46 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.51 71.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.233 0.333 . . . . 0.0 110.666 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.49 -46.53 69.44 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.22 0.534 . . . . 0.0 110.069 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.62 89.46 Favored Glycine 0 N--CA 1.416 -2.639 0 CA-C-N 114.774 -1.103 . . . . 0.0 112.631 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.26 -46.19 87.97 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.681 0.24 . . . . 0.0 111.179 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.93 -45.74 87.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.02 -28.23 64.25 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.893 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.88 -36.97 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -65.94 -33.42 75.79 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.069 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.42 -38.96 68.24 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.004 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.3 mt -54.81 -49.94 69.75 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 123.771 0.828 . . . . 0.0 110.146 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.25 -35.95 78.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.21 76.24 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.68 -34.53 72.09 Favored 'General case' 0 N--CA 1.428 -1.534 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.25 -46.83 87.46 Favored 'General case' 0 C--O 1.184 -2.358 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.276 0.0 OUTLIER -63.9 -31.74 73.03 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 176.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -67.99 -48.04 66.88 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.493 ' HB ' HD21 ' A' ' 54' ' ' LEU . 60.5 t -67.35 -39.75 83.38 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-O 121.184 0.516 . . . . 0.0 110.304 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.28 -33.3 72.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.455 1.502 . . . . 0.0 108.861 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.14 -32.77 59.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.785 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.4 m -67.96 -24.54 65.17 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.062 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.516 ' HG2' ' HG2' ' A' ' 50' ' ' LYS . 42.6 mt-10 . . . . . 0 C--O 1.239 0.541 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.868 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.239 0.544 0 CA-C-O 120.843 0.354 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 2.2 m -62.34 -49.91 73.69 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.856 0.836 . . . . 0.0 108.822 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -68.8 -27.83 66.22 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.816 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 m -62.73 -43.65 98.25 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 122.943 0.497 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -64.97 -35.94 82.8 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.462 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 19' ' ' THR . 42.0 mtp180 -70.54 -27.97 64.56 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.059 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' A' ' 71' ' ' PHE . 4.8 m-30 -90.24 -11.51 40.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.461 0.648 . . . . 0.0 110.966 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -71.15 -16.05 62.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.5 -42.78 98.5 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.358 173.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.25 -34.05 36.27 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.239 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.14 -45.62 90.48 Favored 'General case' 0 C--O 1.25 1.124 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.289 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 32' ' ' LEU 0.283 22.3 pttp -66.73 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 176.223 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 14.4 m-85 -58.31 -45.33 88.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.728 0.299 . . . . 0.0 110.634 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.47 -44.76 92.94 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.345 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.5 pp -69.68 -35.26 74.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.553 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -59.27 -41.81 89.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.741 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.3 mt -65.76 -46.72 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.171 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.1 m -61.23 -41.0 96.11 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.83 -46.5 89.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.827 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -31.89 73.08 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.604 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.2 t -59.04 -44.96 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.594 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 19.9 t70 -67.88 -43.99 78.07 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 118.509 -1.276 . . . . 0.0 110.443 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.08 -45.4 93.04 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.621 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD11 ' HD3' ' A' ' 50' ' ' LYS . 4.5 pp -65.66 -35.54 81.09 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -176.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.3 mm-40 -63.16 -28.95 70.41 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.892 0.377 . . . . 0.0 110.47 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 28.5 mmtp -92.27 -29.46 16.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.277 1.037 . . . . 0.0 110.15 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.5 m -86.57 -0.56 56.39 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 113.679 -1.601 . . . . 0.0 111.317 -176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.64 -39.2 2.63 Favored Glycine 0 C--N 1.312 -0.753 0 C-N-CA 118.608 -1.758 . . . . 0.0 114.689 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' OD1' ' HE2' ' A' ' 50' ' ' LYS . 35.1 t30 67.65 40.62 2.46 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 122.443 1.116 . . . . 0.0 109.794 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.22 -48.61 67.33 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.309 -0.869 . . . . 0.0 112.566 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -155.7 -3.68 0.13 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.069 0.462 . . . . 0.0 110.875 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.15 -37.21 84.33 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.876 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.8 ttpt -62.05 -49.86 74.28 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 121.467 0.651 . . . . 0.0 111.399 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -58.66 -44.76 90.23 Favored 'General case' 0 C--N 1.274 -2.694 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.48 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 mtm105 -66.66 -40.5 88.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.018 0.437 . . . . 0.0 111.885 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HA ' ' A' ' 34' ' ' ILE . 46.2 tp -62.22 -36.65 82.6 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 121.53 0.681 . . . . 0.0 111.408 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.7 mt -63.79 -33.64 76.13 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.29 0.567 . . . . 0.0 109.659 174.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 30.3 mmt180 -68.92 -27.92 66.2 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.298 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 40.5 tt0 -65.76 -40.35 91.98 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.693 176.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.4 pp -72.65 -31.72 65.32 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.105 177.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.7 m -62.19 -46.97 86.57 Favored 'General case' 0 C--O 1.253 1.261 0 CA-C-O 122.069 0.938 . . . . 0.0 110.168 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 63' ' ' PHE . 10.5 p -65.66 -37.09 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.402 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.795 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 50.5 m -59.25 -29.91 67.89 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-O 121.528 0.68 . . . . 0.0 112.018 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 52.7 mt-10 -69.48 -39.43 77.69 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.07 75.11 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.218 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.795 ' CD2' ' HA ' ' A' ' 60' ' ' SER . 2.6 m-85 -67.74 -44.03 78.53 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 19.0 mm -58.8 -49.57 82.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 O-C-N 123.355 0.409 . . . . 0.0 111.253 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.7 -34.56 78.6 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.044 0.45 . . . . 0.0 111.848 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.03 -41.28 48.74 Favored Glycine 0 N--CA 1.44 -1.081 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.237 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.1 p -71.79 -31.58 66.75 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 122.572 -0.37 . . . . 0.0 110.467 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 66.9 mtp180 -64.22 -44.25 92.48 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.916 174.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.665 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.2 -24.7 72.07 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 175.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' A' ' 67' ' ' SER . 60.5 t80 -70.63 -51.5 27.62 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 37.4 m-85 -63.49 -39.54 94.72 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.247 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 22.5 mt-30 -60.99 -38.15 84.96 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.1 mpt_? -70.61 -32.51 69.89 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 120.881 0.372 . . . . 0.0 111.933 175.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 8.9 mm-40 -63.21 -31.35 72.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.044 0.45 . . . . 0.0 110.645 175.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.27 -21.13 64.96 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.173 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -86.58 -7.17 58.58 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.886 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.4 -33.09 64.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.856 0.36 . . . . 0.0 111.332 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 m 73.81 -5.91 1.92 Allowed 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 123.941 0.896 . . . . 0.0 111.176 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -64.59 -36.32 83.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.804 0.812 . . . . 0.0 110.032 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -62.62 168.21 3.89 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 123.342 1.544 . . . . 0.0 110.854 176.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -130.84 -163.55 1.33 Allowed 'General case' 1 C--N 1.237 -4.312 0 N-CA-C 103.723 -2.695 . . . . 0.0 103.723 171.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 -29.38 70.63 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 119.001 0.819 . . . . 0.0 110.832 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.32 -49.69 74.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.795 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 13.5 mm-40 -71.8 -34.16 69.14 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.842 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 26.9 ttpp -57.28 -43.25 82.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.66 -33.5 74.07 Favored 'General case' 0 C--O 1.196 -1.741 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.226 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -73.53 -35.13 65.52 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 123.692 0.797 . . . . 0.0 110.087 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.653 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.0 m-85 -70.46 -45.71 65.24 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 48.5 mt-10 -65.33 -33.04 75.03 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.902 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.39 76.98 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.369 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -65.68 -43.06 90.38 Favored 'General case' 0 C--O 1.205 -1.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.573 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 75.2 mt -58.63 -39.82 81.6 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.24 -35.68 66.3 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.823 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 84.9 m -69.55 -45.5 68.61 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.58 -36.07 87.48 Favored Glycine 0 N--CA 1.415 -2.733 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.867 -176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.79 -42.92 69.69 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.07 -45.78 80.08 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -70.9 -26.0 63.03 Favored 'General case' 0 C--O 1.192 -1.943 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.9 tt -68.12 -39.94 82.62 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.85 -33.58 76.18 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.081 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.36 -35.53 68.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.667 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.4 mt -60.9 -48.09 83.39 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 123.766 0.827 . . . . 0.0 109.68 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HE2' ' CD2' ' A' ' 99' ' ' LEU . 66.9 mttm -66.08 -35.0 79.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.41 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.98 70.38 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.254 0.55 . . . . 0.0 109.82 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -69.89 -33.28 71.99 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.36 -46.35 88.89 Favored 'General case' 0 C--O 1.19 -2.051 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.616 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -37.41 87.07 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.986 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -68.45 -43.31 77.35 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.721 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.33 -39.51 72.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.221 0 CA-C-O 121.016 0.436 . . . . 0.0 110.705 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.67 -46.81 87.91 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.378 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.7 -50.58 14.94 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.476 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 p 49.85 -46.0 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 129.124 2.969 . . . . 0.0 118.013 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--N 1.275 -2.64 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -173.351 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 p30 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -74.09 -38.13 63.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 122.155 -0.341 . . . . 0.0 110.779 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.34 74.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.247 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -66.35 -32.31 73.63 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.811 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.58 -40.42 92.73 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 23' ' ' ARG . 1.5 tpm_? -68.47 -26.54 65.54 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.483 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 7.0 m-85 -99.51 17.41 20.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.663 -0.815 . . . . 0.0 112.513 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -63.95 -30.96 71.99 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.0 mt-10 -68.93 -32.79 72.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.175 0.512 . . . . 0.0 110.666 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 98' ' ' LEU . 27.0 mm -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.47 -47.23 86.29 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.291 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 64.3 pttt -62.95 -38.87 92.81 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.986 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -58.6 -48.37 81.19 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.51 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.66 -47.71 85.02 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 123.391 0.432 . . . . 0.0 111.519 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.3 pp -70.17 -35.53 74.05 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.111 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 32' ' ' LEU . 58.5 t-80 -60.79 -49.17 78.56 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 123.912 0.885 . . . . 0.0 109.807 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.6 mt -62.22 -42.93 97.14 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.795 0 O-C-N 124.207 0.942 . . . . 0.0 110.686 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.447 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 15.5 m -60.46 -47.9 84.1 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.24 0.543 . . . . 0.0 111.228 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.69 -33.0 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.65 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 22.8 tt0 -68.47 -30.95 69.91 Favored 'General case' 0 C--O 1.196 -1.725 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.559 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 t -61.08 -47.14 94.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.55 -38.31 89.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.246 0.966 . . . . 0.0 110.899 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.75 -47.99 82.72 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.77 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 35.6 mt -61.99 -43.39 98.94 Favored 'General case' 0 CA--C 1.47 -2.105 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 46' ' ' ASN . 28.4 tt0 -60.28 -34.34 73.6 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.815 -173.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -98.24 -17.86 18.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.661 0.744 . . . . 0.0 110.142 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.4 m -82.23 -28.85 31.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.751 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -61.28 0.1 OUTLIER Glycine 0 CA--C 1.493 -1.342 0 C-N-CA 119.606 -1.283 . . . . 0.0 111.945 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 42' ' ' GLU . 5.3 t30 76.36 24.42 1.08 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.142 1.377 . . . . 0.0 108.11 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -68.53 -52.06 36.16 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.416 -0.811 . . . . 0.0 113.065 -172.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.1 p-10 -157.72 12.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 123.245 1.498 . . . . 0.0 107.747 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 41' ' ' LEU . 20.4 mt-10 -72.09 -35.01 69.1 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 112.528 -2.124 . . . . 0.0 109.491 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 16.8 tptt -58.44 -48.6 80.18 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -60.3 -43.9 95.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.263 -1.335 . . . . 0.0 110.914 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 90.6 mtt180 -62.05 -45.33 94.04 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.808 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.5 tp -64.27 -36.35 83.82 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 121.582 0.706 . . . . 0.0 111.004 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 72.8 mt -65.4 -32.76 74.56 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.223 0.535 . . . . 0.0 110.595 175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 89.3 mtt180 -67.28 -35.22 79.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 10.1 tp10 -61.84 -42.56 99.18 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.029 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.0 pp -69.2 -29.94 68.01 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 109.981 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 41.8 m -63.1 -41.32 99.36 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.209 177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.1 t -65.76 -38.42 82.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.851 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.6 m -59.36 -43.14 92.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.091 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -69.45 -29.92 67.72 Favored 'General case' 0 C--O 1.211 -0.929 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.458 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.96 90.57 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 111.495 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.851 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.326 10.1 p90 -74.66 -30.45 61.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.289 -1.364 . . . . 0.0 112.217 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -63.46 -35.01 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 50.9 mt-10 -60.27 -45.17 94.26 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.62 85.12 Favored Glycine 0 C--O 1.246 0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.054 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -65.93 -37.75 86.88 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 67.1 ttt180 -68.16 -45.12 74.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.227 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -63.97 -27.06 70.76 Favored Glycine 0 N--CA 1.43 -1.716 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -71.04 -43.75 67.24 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 47.8 m-85 -61.65 -40.06 93.57 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.306 0.574 . . . . 0.0 111.255 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 90.2 mt-30 -62.16 -41.66 98.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.482 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.6 mpt_? -69.93 -32.87 71.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.943 176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 13.8 mm-40 -59.95 -30.3 68.99 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 123.221 0.608 . . . . 0.0 111.339 173.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.52 -16.64 62.89 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.003 0.43 . . . . 0.0 111.15 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -100.64 -5.09 27.16 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.747 0.819 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -53.14 -20.77 4.12 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.107 1.363 . . . . 0.0 113.284 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m 76.0 -42.74 0.46 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 110.766 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.19 90.57 4.4 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.876 0.846 . . . . 0.0 109.645 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -163.5 149.02 11.26 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 104.57 -2.382 . . . . 0.0 104.57 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -125.46 -162.31 1.1 Allowed 'General case' 0 C--N 1.253 -3.611 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.5 -30.79 69.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 118.184 0.447 . . . . 0.0 111.644 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -49.79 65.64 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 120.952 0.406 . . . . 0.0 110.555 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.7 mp0 -70.54 -43.77 68.87 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.412 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -56.46 -43.79 79.88 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.256 1.022 . . . . 0.0 109.552 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.95 -32.69 72.46 Favored 'General case' 0 C--O 1.184 -2.391 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.875 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.43 -38.2 71.39 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 124.903 1.281 . . . . 0.0 110.148 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.8 m-85 -71.95 -46.79 56.2 Favored 'General case' 0 CA--C 1.472 -2.025 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 -31.65 70.95 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.368 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.11 70.08 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 118.502 -1.279 . . . . 0.0 110.192 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -71.53 -38.13 71.09 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.44 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 97.3 mt -59.14 -37.15 76.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.05 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.82 64.67 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.895 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -68.69 -42.97 77.06 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.97 -35.81 90.01 Favored Glycine 0 N--CA 1.425 -2.033 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.514 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 23.1 t70 -67.84 -45.7 73.9 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.834 0.317 . . . . 0.0 110.176 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.2 -44.86 86.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.41 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD13 HG21 ' A' ' 27' ' ' ILE . 4.5 pp -70.03 -26.7 64.17 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.244 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.3 tt -67.89 -36.62 80.56 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 7.4 mtpm? -68.66 -33.32 73.8 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.55 -1.205 . . . . 0.0 108.539 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.33 -39.1 89.02 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.897 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 105' ' ' LEU . 96.1 mt -58.08 -50.22 74.23 Favored 'General case' 0 N--CA 1.46 0.055 0 O-C-N 123.894 0.746 . . . . 0.0 110.455 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.54 -32.98 68.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.74 72.64 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.31 -34.7 73.02 Favored 'General case' 0 C--O 1.175 -2.831 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.33 -42.67 92.0 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.502 0.501 . . . . 0.0 109.737 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -37.11 80.34 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.286 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' ASP . 50.8 mtm180 -68.39 -42.92 78.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.888 0.851 . . . . 0.0 109.65 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' A' ' 50' ' ' LYS . 87.6 t -69.62 -39.53 78.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.825 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.675 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -59.61 -38.21 80.66 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' ARG . 13.0 t70 -68.35 -29.91 68.75 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.56 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.0 m -75.76 -26.07 57.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' HA ' HD21 ' A' ' 46' ' ' ASN 0.252 16.3 pt-20 . . . . . 0 C--O 1.243 0.722 0 C-N-CA 118.419 -1.313 . . . . 0.0 112.033 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.412 ' HB2' ' OG1' ' A' ' 21' ' ' THR . 62.8 m-20 . . . . . 0 CA--C 1.496 -1.103 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 m -66.53 -32.8 74.38 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 123.034 0.534 . . . . 0.0 110.25 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -62.51 -47.37 84.23 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.345 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' A' ' 18' ' ' ASN . 1.7 m -70.57 -38.0 74.04 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.947 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -62.34 -40.06 95.12 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -62.77 -38.75 91.85 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.699 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -91.07 -1.66 57.75 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.944 -1.102 . . . . 0.0 112.58 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -74.09 -21.38 59.93 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.45 -44.82 77.72 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.304 1.049 . . . . 0.0 108.315 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.63 -34.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.93 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 35.7 tt0 -59.57 -35.59 74.58 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.186 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -66.14 -39.78 90.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.867 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -58.61 -45.88 88.21 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.281 0.562 . . . . 0.0 109.641 171.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 2.6 tm? -57.57 -48.47 79.25 Favored 'General case' 0 C--O 1.252 1.219 0 C-N-CA 124.689 1.196 . . . . 0.0 111.065 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.34 -35.69 73.76 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.454 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 9.4 t-80 -64.14 -42.73 96.67 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.001 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.0 mt -62.68 -45.44 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 117.719 0.236 . . . . 0.0 110.544 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -63.95 -44.22 93.47 Favored 'General case' 0 CA--C 1.56 1.362 0 CA-C-O 121.466 0.65 . . . . 0.0 110.353 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 39' ' ' ASP . 49.9 t-80 -66.79 -31.4 72.01 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.33 0.586 . . . . 0.0 110.133 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.3 tp10 -65.74 -33.88 76.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 34' ' ' ILE . 58.2 t -64.08 -38.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 5.1 m-20 -60.28 -45.4 93.47 Favored 'General case' 0 C--O 1.265 1.912 0 CA-C-O 122.452 1.12 . . . . 0.0 110.613 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.4 -47.63 59.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.118 -1.401 . . . . 0.0 110.61 -172.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -68.07 -34.14 75.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 123.398 0.436 . . . . 0.0 110.495 -176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 41' ' ' LEU . 38.0 tt0 -61.53 -42.9 99.51 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 123.684 0.615 . . . . 0.0 110.77 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -81.62 -13.13 58.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.027 -1.069 . . . . 0.0 109.772 -176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 40.8 m -95.16 -4.29 46.32 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.319 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.12 -51.4 0.75 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.06 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.6 t30 71.6 73.43 0.17 Allowed 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 124.224 1.01 . . . . 0.0 110.916 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.254 34.2 mmtp -71.79 -48.65 45.09 Favored 'General case' 0 C--N 1.283 -2.31 0 C-N-CA 118.717 -1.193 . . . . 0.0 112.876 171.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -146.73 -13.76 0.43 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.965 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.74 -41.74 98.05 Favored 'General case' 0 C--O 1.191 -2.001 0 C-N-CA 123.22 0.608 . . . . 0.0 112.072 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.4 ttpp -64.98 -48.75 72.89 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.882 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.6 85.55 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.904 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -68.28 -44.57 75.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.406 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 30.5 tp -60.94 -37.9 83.97 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 123.947 0.899 . . . . 0.0 111.559 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 82.4 mt -64.46 -36.37 83.95 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 ttt180 -69.31 -36.89 77.44 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.8 tp10 -61.36 -43.14 99.38 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 109.434 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.497 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -71.32 -30.83 66.68 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 m -64.25 -39.66 94.4 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-O 121.484 0.659 . . . . 0.0 109.55 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' ARG . 61.0 t -66.59 -38.91 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.804 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 32.2 m -59.62 -46.09 90.0 Favored 'General case' 0 C--O 1.25 1.118 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.631 178.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -58.85 -36.03 73.9 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.746 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.23 -45.56 76.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.804 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 7.3 p90 -76.75 -33.14 58.12 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.824 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -35.82 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.63 -31.66 68.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.58 -36.83 88.83 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 29.9 t -69.68 -32.67 71.41 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -63.86 -43.4 96.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.233 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.3 -24.66 69.22 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 174.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.471 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 59.0 t80 -70.64 -46.65 62.9 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 49.6 m-85 -65.16 -39.81 93.46 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -40.71 80.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.429 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 7.6 mpt_? -69.46 -37.52 77.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.463 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 11.0 mm-40 -65.13 -31.63 72.91 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.06 -20.89 65.77 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -110.46 -6.79 14.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 111.035 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.61 -28.4 67.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.161 -176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 m 75.79 -5.2 2.22 Favored 'General case' 0 CA--C 1.569 1.69 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.42 38.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.357 1.063 . . . . 0.0 109.925 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.7 pt? -142.39 154.17 44.39 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -110.66 176.83 4.88 Favored 'General case' 0 C--N 1.259 -3.363 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.37 -30.92 63.29 Favored 'General case' 0 C--O 1.2 -1.509 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.06 -49.97 72.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.56 0.744 . . . . 0.0 110.72 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 43.3 mt-10 -71.83 -37.88 70.23 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.763 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -56.27 -42.56 77.65 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -59.48 -32.77 70.56 Favored 'General case' 0 C--O 1.197 -1.705 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -74.6 -39.63 62.08 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 123.296 0.638 . . . . 0.0 109.867 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.9 m-85 -73.59 -42.21 61.85 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.79 -32.09 71.56 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-N 114.143 -1.389 . . . . 0.0 109.163 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.01 80.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.092 -1.043 . . . . 0.0 108.89 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -68.15 -41.16 82.01 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.093 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -57.81 -42.76 84.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.455 0.169 . . . . 0.0 111.098 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.89 -36.53 75.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.7 m -68.67 -45.61 71.28 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.917 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.14 -41.1 87.62 Favored Glycine 0 N--CA 1.415 -2.752 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.838 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.08 0.467 . . . . 0.0 110.422 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.1 -48.49 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.519 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.15 -27.56 64.64 Favored 'General case' 0 C--O 1.204 -1.304 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.21 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 14.4 mt -67.21 -37.43 83.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.11 -37.56 81.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.18 -38.19 75.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.35 -0.94 . . . . 0.0 110.359 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.88 -51.05 70.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.666 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 4.5 ptpp? -72.76 -29.25 63.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.399 -0.921 . . . . 0.0 113.082 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.44 70.49 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -71.03 -33.96 70.83 Favored 'General case' 0 C--O 1.18 -2.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.202 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' A' ' 103' ' ' LYS . 6.9 tt0 -58.38 -46.71 85.83 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 123.862 0.865 . . . . 0.0 109.771 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.1 -32.62 74.18 Favored 'General case' 0 C--O 1.183 -2.421 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -68.52 -48.88 63.2 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.445 0.698 . . . . 0.0 109.444 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 105' ' ' LEU . 60.5 t -67.92 -38.37 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.312 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.45 -33.16 75.29 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.27 173.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 -17.84 54.85 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.616 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 m -58.78 -26.2 63.81 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.933 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.438 -1.037 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.335 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 CA--C 1.489 -1.372 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.2 m -62.94 -35.7 80.97 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.933 0.397 . . . . 0.0 111.292 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -65.47 -48.13 73.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.952 -177.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -74.91 -34.76 62.2 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.674 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.01 -43.83 94.44 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.94 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -66.28 -32.86 74.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -84.06 0.0 50.04 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.083 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -72.44 -22.84 61.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.681 -0.407 . . . . 0.0 109.963 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.48 -40.34 95.49 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.785 0.802 . . . . 0.0 109.866 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.44 -34.9 25.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 6.1 tm-20 -59.77 -46.66 88.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.477 0.711 . . . . 0.0 109.481 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.67 -36.09 81.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.518 177.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -68.57 -34.16 75.33 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 62.0 tp -58.35 -43.43 88.35 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.725 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.3 pp -68.59 -35.11 76.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.79 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -59.13 -47.78 84.04 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 174.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.683 ' O ' HG23 ' A' ' 38' ' ' VAL . 15.0 mm -62.58 -46.7 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 O-C-N 123.302 0.376 . . . . 0.0 110.726 -178.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -64.28 -44.6 91.18 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.211 0.529 . . . . 0.0 110.656 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 20.4 t60 -70.27 -31.11 68.34 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 122.101 -0.375 . . . . 0.0 111.359 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.0 tp10 -59.68 -37.15 77.99 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 34' ' ' ILE . 39.8 t -64.69 -45.03 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 64.0 m-20 -59.21 -45.18 91.77 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 122.322 1.058 . . . . 0.0 109.658 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.12 -47.1 63.22 Favored 'General case' 0 N--CA 1.405 -2.693 0 CA-C-N 113.403 -1.726 . . . . 0.0 109.978 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.4 pp -68.37 -35.15 77.29 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.394 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.7 mt-10 -70.02 -24.96 63.37 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -13.17 26.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.051 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 m -95.14 -58.31 2.18 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.715 -174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.82 -57.63 0.01 OUTLIER Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.482 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 75.19 4.97 4.22 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 124.428 1.091 . . . . 0.0 110.186 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -66.04 -48.48 70.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.827 -1.078 . . . . 0.0 113.332 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -135.18 -22.95 1.53 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.538 0.685 . . . . 0.0 111.323 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.296 43.4 mt-10 -66.49 -32.87 74.5 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' CE ' HG13 ' A' ' 109' ' ' VAL . 38.5 tptt -55.72 -43.49 76.57 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.873 0.844 . . . . 0.0 108.986 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.85 78.54 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.082 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.09 -40.14 88.57 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.672 HD21 HG22 ' A' ' 38' ' ' VAL . 7.2 tp -57.91 -50.12 74.44 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 124.587 1.155 . . . . 0.0 111.148 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 35.9 mt -67.18 -34.68 78.05 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.386 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -68.79 -35.69 77.35 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.35 -36.76 77.21 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.781 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD11 ' A' ' 102' ' ' LEU . 3.1 pp -74.09 -29.75 62.02 Favored 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.454 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 m -61.06 -38.89 87.82 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.315 0.579 . . . . 0.0 110.293 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.7 t -65.84 -39.89 86.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.84 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -62.42 -42.55 99.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.57 -34.11 72.28 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 126.218 1.807 . . . . 0.0 108.332 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 -44.31 63.88 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.586 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.84 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.335 6.8 p90 -76.43 -31.91 58.15 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 117.576 -1.65 . . . . 0.0 112.387 -178.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 60' ' ' SER . 5.4 tp -64.37 -37.91 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.873 175.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.69 -39.89 95.45 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.94 93.54 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.522 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.8 m -73.73 -34.89 64.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 122.431 -0.452 . . . . 0.0 110.347 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 68.7 mtp180 -69.23 -41.39 77.09 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.599 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -64.63 -21.36 66.97 Favored Glycine 0 N--CA 1.422 -2.248 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.462 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.513 ' HA ' ' HD3' ' A' ' 73' ' ' ARG . 64.1 t80 -70.36 -48.17 57.59 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.51 -37.7 87.07 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.238 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 24.3 mt-30 -54.71 -44.77 73.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 173.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' A' ' 69' ' ' GLY 0.324 0.0 OUTLIER -69.74 -30.66 68.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 119.029 -1.068 . . . . 0.0 111.891 174.86 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 7.6 mm-40 -61.63 -29.75 70.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.097 0.475 . . . . 0.0 110.977 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.39 -20.98 66.21 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.503 0.668 . . . . 0.0 110.573 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 49.3 tttp -98.99 -7.75 26.45 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 124.599 1.16 . . . . 0.0 109.467 -175.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 7.6 ttt-85 -63.52 -27.4 69.24 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.703 1.201 . . . . 0.0 111.31 -173.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.6 m 75.34 -37.18 0.33 Allowed 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.647 1.179 . . . . 0.0 111.03 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.15 79.1 9.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.003 0.906 . . . . 0.0 110.197 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -161.94 156.13 21.99 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 103.274 -2.862 . . . . 0.0 103.274 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.47 -167.63 1.55 Allowed 'General case' 0 C--N 1.256 -3.492 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 174.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.7 -30.35 70.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.57 -49.78 75.27 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.214 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 39.7 mt-10 -72.61 -37.36 68.11 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.627 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.75 -37.62 76.62 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.153 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.89 -37.74 88.13 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.255 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -74.09 -32.51 63.27 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 124.086 0.955 . . . . 0.0 111.218 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 9.2 m-85 -72.06 -40.58 68.23 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.64 -31.73 71.09 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.3 81.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.703 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -63.75 -43.19 97.18 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.48 0.712 . . . . 0.0 110.695 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.7 mt -59.18 -36.4 75.27 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.192 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.67 -37.49 65.24 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 123.507 0.504 . . . . 0.0 110.657 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -43.54 81.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.433 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.25 -38.29 87.45 Favored Glycine 0 N--CA 1.419 -2.446 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.058 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.26 -47.33 86.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.83 0.452 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.83 -48.08 80.61 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.085 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.456 HD11 HG12 ' A' ' 64' ' ' ILE . 3.0 pp -70.72 -29.02 65.17 Favored 'General case' 0 C--O 1.199 -1.597 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.395 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.21 -37.1 77.89 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -68.92 -33.18 73.32 Favored 'General case' 0 N--CA 1.411 -2.38 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.205 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.63 -40.88 63.44 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 109.667 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 57' ' ' LEU . 22.0 tp -59.81 -49.3 78.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.659 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 65.5 mttp -71.78 -29.14 64.15 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.644 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.73 73.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -70.54 -32.98 70.64 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 54.1 mt-30 -58.56 -45.23 89.43 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 71.1 mmtt -64.48 -32.15 73.66 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 123.532 0.52 . . . . 0.0 109.949 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 72.9 ttt180 -68.66 -48.15 64.73 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 124.134 0.974 . . . . 0.0 109.14 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.494 HG13 ' CE ' ' A' ' 50' ' ' LYS . 41.4 t -58.54 -48.68 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.809 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.35 -34.98 77.71 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.496 1.518 . . . . 0.0 110.609 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.87 -40.84 68.66 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -74.2 -25.53 59.74 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.256 1.408 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.909 -178.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.9 t30 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -62.93 -37.7 88.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.19 85.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.068 -174.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -75.09 -31.03 61.1 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.84 -36.58 78.33 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.433 0.635 . . . . 0.0 110.25 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -71.94 -40.54 68.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.726 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -89.05 5.62 43.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.854 0.359 . . . . 0.0 111.893 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -69.04 -31.61 70.53 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.98 -41.67 98.27 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 122.184 0.992 . . . . 0.0 109.421 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -77.32 -34.76 21.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.609 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 42.5 tt0 -65.81 -46.47 78.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.623 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.02 78.97 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.002 0.429 . . . . 0.0 110.2 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 34' ' ' ILE . 51.0 t80 -62.36 -42.88 99.76 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.314 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.91 -40.99 95.22 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 123.346 0.658 . . . . 0.0 109.333 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 28.4 mt -64.92 -42.32 94.81 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -59.5 -37.86 79.39 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.434 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 38' ' ' VAL . 68.3 mt -62.37 -42.25 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 122.825 0.45 . . . . 0.0 110.132 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -66.2 -39.35 89.6 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.559 0.695 . . . . 0.0 109.739 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -69.47 -31.76 70.26 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.053 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 15.4 tp10 -63.9 -41.06 97.79 Favored 'General case' 0 C--O 1.197 -1.676 0 C-N-CA 123.945 0.898 . . . . 0.0 108.868 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 76.5 t -58.83 -48.61 85.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.247 0 C-N-CA 124.316 1.046 . . . . 0.0 108.236 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -58.6 -43.83 89.67 Favored 'General case' 0 C--O 1.282 2.771 0 CA-C-O 122.556 1.17 . . . . 0.0 110.919 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.31 -48.6 72.55 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.085 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 3.7 pp -65.84 -33.95 77.03 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.483 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 31.8 mm-40 -59.59 -35.44 74.3 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 123.681 0.613 . . . . 0.0 111.389 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.47 -14.22 21.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 118.336 -1.345 . . . . 0.0 111.618 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.3 m -90.87 -39.25 12.43 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.259 -175.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.85 -50.8 0.17 Allowed Glycine 0 C--N 1.312 -0.775 0 C-N-CA 119.778 -1.201 . . . . 0.0 112.966 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 57.34 31.66 20.52 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.981 1.713 . . . . 0.0 111.626 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.48 -50.44 63.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.46 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -150.68 -9.74 0.25 Allowed 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 122.404 1.097 . . . . 0.0 109.313 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.86 -34.48 74.66 Favored 'General case' 0 C--O 1.2 -1.525 0 C-N-CA 125.745 1.618 . . . . 0.0 111.045 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 65.4 tttt -65.42 -48.5 72.57 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 120.772 0.32 . . . . 0.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.32 85.44 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.132 0.491 . . . . 0.0 110.239 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.71 -42.54 99.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.009 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.8 tp -61.27 -38.17 85.78 Favored 'General case' 0 N--CA 1.428 -1.564 0 C-N-CA 123.651 0.78 . . . . 0.0 111.537 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.5 mp -64.52 -33.73 76.59 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.81 0.814 . . . . 0.0 111.203 174.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -69.73 -25.18 63.72 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.7 174.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 9.0 tp10 -70.22 -37.79 75.09 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 175.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.268 4.0 pp -72.56 -29.26 63.39 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 177.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 24.2 m -62.18 -39.26 92.08 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.49 -38.72 83.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.785 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 19.8 m -60.54 -46.63 89.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.06 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.1 pt-20 -65.84 -30.08 70.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.87 86.53 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.785 ' CZ ' ' HA ' ' A' ' 60' ' ' SER . 16.0 p90 -75.8 -31.36 59.39 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 117.986 -1.486 . . . . 0.0 110.782 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 98' ' ' LEU . 6.7 mm -60.22 -48.45 88.05 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.71 -28.34 64.67 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.341 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.39 -46.03 81.17 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 174.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 p -68.96 -35.55 76.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 92' ' ' LEU . 68.2 mtp180 -62.72 -42.28 99.58 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 175.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.63 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.89 -25.38 71.9 Favored Glycine 0 N--CA 1.419 -2.495 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -71.09 -49.72 41.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 31.9 m-85 -59.86 -40.43 88.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.361 -1.29 . . . . 0.0 111.653 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -65.73 -39.48 91.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.63 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.9 mpt_? -69.8 -33.96 73.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.127 0.489 . . . . 0.0 111.568 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -70.3 -37.51 74.79 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.76 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.9 tp -66.53 -15.92 63.76 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.68 0.753 . . . . 0.0 110.765 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' ARG . 81.6 tttt -82.65 -15.91 50.29 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 124.027 0.931 . . . . 0.0 110.195 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' OD2' ' A' ' 79' ' ' ASP . 54.5 mtt180 -69.96 -34.46 73.44 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 m 77.28 -22.65 0.27 Allowed 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 3.9 p30 -65.98 -15.72 63.25 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-O 121.748 0.785 . . . . 0.0 111.754 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 6.3 mp -55.54 171.22 0.21 Allowed 'General case' 0 CA--C 1.476 -1.879 0 C-N-CA 127.716 2.406 . . . . 0.0 111.331 174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.6 -176.78 4.09 Favored 'General case' 1 C--N 1.234 -4.433 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.87 -30.4 70.12 Favored 'General case' 0 C--O 1.191 -2.007 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.04 -48.84 80.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.173 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 21.9 mm-40 -71.7 -48.1 49.57 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.722 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.98 -44.4 78.52 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.638 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -68.17 -32.33 72.5 Favored 'General case' 0 C--O 1.188 -2.163 0 O-C-N 123.157 0.285 . . . . 0.0 110.764 -176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.75 -40.57 63.4 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HB3' ' HB3' ' A' ' 71' ' ' PHE . 4.3 m-85 -76.77 -42.12 42.06 Favored 'General case' 0 CA--C 1.484 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.44 -33.59 76.05 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.93 71.2 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.526 -1.269 . . . . 0.0 109.564 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.53 -43.57 76.45 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.469 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 4.4 pp -65.37 -33.94 77.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.75 -0.78 . . . . 0.0 111.471 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.95 -30.51 62.58 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 m -67.9 -41.65 82.38 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.2 -44.76 97.71 Favored Glycine 0 N--CA 1.417 -2.575 0 CA-C-N 114.005 -1.452 . . . . 0.0 112.422 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.7 -41.33 92.47 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 117.251 0.526 . . . . 0.0 110.498 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.0 mt -65.44 -43.77 89.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.232 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.6 pp -72.38 -27.65 62.51 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.649 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.19 -46.43 77.36 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -69.35 -31.24 69.54 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.717 177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.03 -34.59 76.76 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 87.4 mt -58.04 -48.67 79.38 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 99.8 mttt -69.12 -27.23 65.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.056 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.52 -43.1 73.73 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.73 -34.32 71.77 Favored 'General case' 0 C--O 1.198 -1.642 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.72 -41.94 87.55 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.958 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.8 mmtt -65.84 -35.52 80.9 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.388 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.74 -45.09 75.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.503 0.668 . . . . 0.0 109.552 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 54' ' ' LEU . 60.5 t -67.58 -39.3 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.677 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -59.6 -38.45 81.29 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -76.25 -18.2 59.12 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.886 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 t -76.95 -25.59 53.01 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.344 -0.836 . . . . 0.0 109.041 177.345 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.386 0.136 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.1 m -63.17 -36.27 83.06 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.302 0.572 . . . . 0.0 110.158 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -66.73 -47.08 73.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.252 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -41.7 97.45 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.155 0.982 . . . . 0.0 110.005 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.67 -36.38 76.33 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.613 0.765 . . . . 0.0 110.953 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -75.77 -39.22 57.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.118 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -84.94 -4.82 59.28 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.429 0.633 . . . . 0.0 112.245 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -68.15 -27.46 66.45 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.546 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 18.9 mm-40 -72.45 -29.84 64.04 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 121.607 0.717 . . . . 0.0 109.963 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.5 mp -78.4 -35.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 19.4 tp10 -59.23 -39.91 84.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 39.8 ttmt -59.33 -39.82 84.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.414 -1.267 . . . . 0.0 110.256 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 25.1 m-85 -59.59 -44.89 93.23 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.52 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.2 -39.85 80.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 120.955 0.407 . . . . 0.0 111.513 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 23.9 mt -63.57 -47.05 83.11 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.38 -45.72 90.65 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.731 -1.577 . . . . 0.0 112.502 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' VAL . 73.7 mt -62.68 -46.09 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -64.14 -41.97 96.99 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.967 0.413 . . . . 0.0 110.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.13 -39.11 91.45 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 109.752 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -30.3 67.85 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 47.7 t -62.9 -38.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.9 -45.07 87.47 Favored 'General case' 0 C--O 1.265 1.882 0 CA-C-O 122.124 0.964 . . . . 0.0 110.427 175.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.99 -44.52 95.8 Favored 'General case' 0 C--O 1.194 -1.863 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.141 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.1 pp -64.44 -35.01 79.54 Favored 'General case' 0 CA--C 1.483 -1.626 0 O-C-N 123.373 0.421 . . . . 0.0 110.81 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.3 tm-20 -63.1 -34.48 77.69 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.168 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -87.7 -36.03 17.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.015 0.912 . . . . 0.0 110.007 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 23.3 m -68.91 -10.73 58.71 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 125.752 1.621 . . . . 0.0 112.097 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.39 -37.83 2.53 Favored Glycine 0 N--CA 1.463 0.455 0 C-N-CA 119.125 -1.512 . . . . 0.0 114.394 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 71.68 19.12 5.08 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 122.232 1.015 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' OE1' ' A' ' 49' ' ' GLU . 6.5 ptpp? -67.05 -47.55 71.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.573 -173.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -130.84 -17.66 3.14 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 122.036 0.922 . . . . 0.0 109.758 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.549 ' OE1' ' HG2' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -59.87 -35.77 75.51 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.024 -171.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.691 ' HE2' ' O ' ' A' ' 109' ' ' VAL . 9.2 tptm -65.45 -50.53 65.05 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.317 -175.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.49 74.04 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.949 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -66.03 -48.59 70.62 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.968 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.77 -35.59 77.25 Favored 'General case' 0 N--CA 1.423 -1.779 0 CA-C-O 121.307 0.575 . . . . 0.0 110.962 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 93.5 mt -62.26 -33.18 74.12 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.191 0.52 . . . . 0.0 111.036 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.0 ttm180 -69.34 -37.35 77.65 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.43 -35.51 79.48 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.789 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.4 pp -71.84 -32.08 67.16 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.793 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 42.9 m -64.95 -35.75 82.18 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 121.844 0.83 . . . . 0.0 109.821 176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 55' ' ' ARG . 48.5 t -69.3 -43.12 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.821 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 19.4 m -62.84 -31.15 72.11 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 123.287 1.518 . . . . 0.0 110.432 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' THR . 24.3 tt0 -67.98 -37.4 81.48 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-N 112.052 -2.34 . . . . 0.0 107.257 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.11 63.7 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.898 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.821 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 2.5 m-85 -63.94 -41.4 97.62 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 32.9 mm -59.22 -45.26 93.06 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.738 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' HH21 ' A' ' 68' ' ' ARG . 11.1 mm-40 -56.61 -45.27 81.54 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.722 0.296 . . . . 0.0 111.77 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.96 -38.78 95.9 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.6 m -69.74 -32.35 70.84 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 43.2 mtm105 -67.91 -39.61 83.56 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.287 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.711 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.99 -31.54 79.78 Favored Glycine 0 N--CA 1.42 -2.401 0 C-N-CA 120.249 -0.977 . . . . 0.0 110.693 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -70.63 -52.03 24.05 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 121.292 0.567 . . . . 0.0 109.666 -173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -65.89 -38.81 89.74 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.738 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.12 -40.03 84.16 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.335 175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.711 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 8.9 mpt_? -69.59 -44.69 70.25 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.826 -0.17 . . . . 0.0 110.742 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.62 -29.45 70.06 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD11 ' HG3' ' A' ' 85' ' ' LYS . 28.9 tp -66.18 -15.86 63.5 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.755 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 20.9 pttm -96.07 -5.29 41.25 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 121.952 -0.467 . . . . 0.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -50.74 -19.66 1.02 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.577 1.951 . . . . 0.0 115.118 -167.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.9 m 75.87 -46.66 0.56 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.719 0.808 . . . . 0.0 110.336 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -92.11 74.59 5.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 123.175 1.464 . . . . 0.0 111.09 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -159.52 152.98 22.48 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -127.11 -161.88 1.11 Allowed 'General case' 0 C--N 1.268 -2.972 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.06 -30.55 69.29 Favored 'General case' 0 C--O 1.202 -1.405 0 CA-C-N 118.043 0.383 . . . . 0.0 111.004 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.3 -48.54 77.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.506 0.669 . . . . 0.0 111.484 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 9.5 mp0 -71.26 -45.4 63.26 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.201 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' A' ' 75' ' ' LEU . 23.4 ttmm -55.59 -40.88 72.61 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-N 114.286 -1.324 . . . . 0.0 109.767 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.22 -36.71 83.74 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.377 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -74.51 -32.75 62.61 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 122.973 0.509 . . . . 0.0 111.054 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.6 m-30 -68.78 -45.36 71.55 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 85' ' ' LYS . 58.5 mt-10 -67.97 -32.43 72.85 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.628 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.34 -44.36 79.28 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.796 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -64.43 -41.78 96.4 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.681 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 96.4 mt -59.25 -41.91 89.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.359 178.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 -35.28 67.98 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -66.27 -44.7 82.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.75 -41.61 95.66 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.425 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.32 -49.92 75.99 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 122.775 0.43 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.604 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.68 -28.63 63.86 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.603 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 6.6 tt -69.52 -40.63 76.8 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 122.312 1.053 . . . . 0.0 108.33 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -71.81 -31.02 66.12 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.798 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.18 -38.8 82.42 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 106' ' ' GLN . 79.8 mt -54.95 -48.37 73.28 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.589 173.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -61.46 -38.15 86.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.544 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.28 68.01 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 109' ' ' VAL . 1.2 pp -70.45 -33.82 71.73 Favored 'General case' 0 C--O 1.174 -2.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -59.12 -44.11 91.98 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 124.374 1.069 . . . . 0.0 109.187 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.33 -34.29 77.65 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.202 0.525 . . . . 0.0 110.335 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -67.35 -42.04 84.18 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.759 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.691 ' O ' ' HE2' ' A' ' 50' ' ' LYS . 60.1 t -70.56 -38.74 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.337 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.407 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 9.7 mm100 -49.68 -46.93 50.42 Favored 'General case' 0 CA--C 1.489 -1.399 0 C-N-CA 123.353 0.661 . . . . 0.0 110.307 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 113' ' ' GLU . 7.4 t70 -87.5 -50.37 6.58 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 117.246 -1.781 . . . . 0.0 110.967 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 p 60.73 -25.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 127.752 2.421 . . . . 0.0 115.924 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 111' ' ' ASP . 2.2 mp0 . . . . . 0 C--O 1.249 1.059 0 C-N-CA 125.094 1.358 . . . . 0.0 109.428 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 CA--C 1.496 -1.122 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 p -61.89 -49.75 74.97 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.55 78.78 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 p -75.34 -35.28 61.2 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.14 0.495 . . . . 0.0 111.781 -176.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.09 -36.31 77.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.55 -34.62 77.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.415 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -95.43 14.76 21.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 27.1 t60 -72.77 -29.38 63.26 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 1.4 mp0 -63.28 -40.87 98.59 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.294 0.568 . . . . 0.0 110.888 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.0 -34.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.532 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -66.45 -39.61 88.96 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.299 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 14.1 ptmm? -66.86 -36.47 82.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.55 0.691 . . . . 0.0 109.545 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.72 -37.39 82.16 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.83 -37.01 82.84 Favored 'General case' 0 C--O 1.251 1.145 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 47.3 mt -65.48 -44.48 87.01 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 176.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.66 -39.01 82.99 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.129 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.6 mm -61.81 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.51 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 26.0 m -62.85 -44.07 97.12 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 121.484 0.659 . . . . 0.0 110.39 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.405 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 40.0 m-70 -70.81 -30.55 67.03 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.43 -32.8 74.34 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.8 t -62.37 -50.64 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.606 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 70.5 m-20 -55.18 -42.58 73.38 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.499 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.17 -45.67 55.2 Favored 'General case' 0 N--CA 1.402 -2.866 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.493 -173.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.5 pp -68.9 -34.24 75.09 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.28 0.562 . . . . 0.0 110.472 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 38' ' ' VAL . 2.8 tp10 -61.81 -40.91 96.91 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -13.18 50.71 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.437 1.113 . . . . 0.0 110.081 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 2.6 m -83.61 -33.61 25.29 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.082 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.71 -46.08 0.79 Allowed Glycine 0 CA--C 1.478 -2.227 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.024 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.479 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 32.0 t30 67.47 60.9 0.47 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.861 0.839 . . . . 0.0 111.25 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -72.01 -50.43 28.69 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.518 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -139.69 -0.3 1.75 Allowed 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.22 -36.95 85.74 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.923 -172.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HD2' HG12 ' A' ' 109' ' ' VAL . 3.3 tppp? -62.17 -49.54 75.41 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -62.86 -44.62 95.62 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.026 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -59.82 -47.13 86.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 34.4 tp -65.14 -39.33 92.87 Favored 'General case' 0 N--CA 1.408 -2.54 0 CA-C-O 121.145 0.498 . . . . 0.0 111.928 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 109' ' ' VAL . 76.4 mt -69.96 -33.91 72.7 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 120.079 -0.649 . . . . 0.0 111.011 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 97.4 mtt180 -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.0 tp10 -62.06 -43.93 97.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.273 1.029 . . . . 0.0 109.185 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HB2' HD12 ' A' ' 102' ' ' LEU . 3.8 pp -71.3 -29.98 65.7 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.68 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 63.1 m -62.9 -39.21 93.81 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 122.241 1.019 . . . . 0.0 109.187 175.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.3 t -67.62 -38.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 173.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.817 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 20.3 m -61.68 -46.97 87.43 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.632 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 58' ' ' THR . 13.4 pt-20 -64.27 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.34 80.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.703 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.817 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.281 9.3 p90 -76.68 -31.47 57.28 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.207 -178.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.459 HG13 HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.65 -33.97 66.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HA ' ' HE ' ' A' ' 68' ' ' ARG . 36.4 tt0 -67.56 -34.35 76.87 Favored 'General case' 0 N--CA 1.435 -1.194 0 O-C-N 121.799 -0.563 . . . . 0.0 109.498 174.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.25 93.66 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.15 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 p -69.69 -32.36 70.91 Favored 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' A' ' 65' ' ' GLU . 57.1 mtm180 -67.83 -41.27 83.26 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.971 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -61.51 -26.79 66.96 Favored Glycine 0 N--CA 1.431 -1.671 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.0 177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -70.35 -46.18 64.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.34 -39.79 88.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.736 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.7 -36.57 81.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.571 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 16.8 mmm180 -71.12 -39.91 71.76 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.98 0.419 . . . . 0.0 110.583 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.95 -29.93 69.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 75' ' ' LEU . 5.6 tt -60.87 -23.83 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.655 1.182 . . . . 0.0 109.276 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.59 -6.49 58.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.089 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.76 -54.3 20.39 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.9 m 75.79 3.76 3.84 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 122.355 1.074 . . . . 0.0 110.511 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -70.51 -26.13 63.45 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.744 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' CB ' ' HB3' ' A' ' 84' ' ' GLU . 5.7 mp -97.43 -178.65 4.22 Favored 'General case' 0 N--CA 1.41 -2.441 0 C-N-CA 124.382 1.073 . . . . 0.0 110.845 -176.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.7 t70 -108.76 -158.85 0.66 Allowed 'General case' 0 C--N 1.267 -3.016 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.421 -172.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -57.77 -27.54 63.16 Favored 'General case' 0 C--O 1.191 -1.998 0 CA-C-O 121.114 0.483 . . . . 0.0 109.98 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.249 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.8 pt-20 -71.13 -54.15 12.07 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 118.317 -1.353 . . . . 0.0 108.892 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 13.3 mptt -56.03 -43.63 77.99 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.948 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.44 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 83.4 t80 -68.81 -33.03 73.17 Favored 'General case' 0 N--CA 1.419 -1.982 0 O-C-N 123.888 0.742 . . . . 0.0 111.691 -177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -73.73 -37.42 65.11 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 84' ' ' GLU . 5.7 m-85 -76.38 -44.04 38.04 Favored 'General case' 0 CA--C 1.464 -2.335 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -177.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.3 pt-20 -66.68 -31.96 72.96 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.78 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.28 70.43 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 118.583 -1.247 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.13 -34.65 73.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.19 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.2 mt -63.32 -38.51 91.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.01 62.36 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.49 0.494 . . . . 0.0 110.177 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.3 m -64.48 -47.12 80.17 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.507 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -68.17 -39.86 88.17 Favored Glycine 0 N--CA 1.423 -2.169 0 CA-C-N 114.937 -1.029 . . . . 0.0 113.424 -177.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.78 -42.09 77.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.301 0.55 . . . . 0.0 110.32 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.98 -42.4 89.87 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 64' ' ' ILE . 4.1 pp -71.33 -28.74 64.3 Favored 'General case' 0 C--O 1.201 -1.499 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.523 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -67.62 -40.82 84.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -63.86 -33.6 76.06 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.907 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.73 -36.36 70.45 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 57' ' ' LEU . 3.0 mm? -57.2 -46.21 83.08 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -67.67 -41.48 83.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.606 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.27 72.24 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.41 -34.46 74.52 Favored 'General case' 0 C--O 1.18 -2.602 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.433 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.5 tt0 -59.97 -37.93 81.04 Favored 'General case' 0 C--O 1.203 -1.359 0 O-C-N 123.224 0.328 . . . . 0.0 111.353 177.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.54 -36.73 81.55 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -68.06 -41.16 82.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.862 0.839 . . . . 0.0 110.146 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.64 HG12 ' HD2' ' A' ' 50' ' ' LYS . 90.4 t -68.73 -38.46 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.803 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -62.85 -35.84 81.29 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.15 -35.13 79.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.637 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.9 t -63.75 -24.67 67.86 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 124.579 1.151 . . . . 0.0 111.968 177.46 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p30 . . . . . 0 CA--C 1.546 0.807 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -71.06 -44.58 65.47 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.159 0.89 . . . . 0.0 112.081 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . . . -68.71 -39.81 80.3 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 121.133 0.492 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -70.42 -33.82 71.79 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.166 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -68.75 -39.96 80.04 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.175 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 20' ' ' ALA . 16.0 ptm180 -77.6 -17.74 57.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.136 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' HA ' HD13 ' A' ' 27' ' ' ILE . 14.3 m-30 -110.53 13.2 22.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.133 0.492 . . . . 0.0 111.168 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.22 -41.94 97.74 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.28 175.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 24' ' ' PHE . 4.1 mp -68.58 -34.57 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.363 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.67 -37.07 80.36 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 120.987 0.422 . . . . 0.0 110.102 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.73 -38.68 91.82 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.914 175.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 34' ' ' ILE . 46.9 m-85 -60.27 -42.56 95.66 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.195 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.55 -47.97 80.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.183 0.516 . . . . 0.0 110.07 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.48 -34.81 74.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.664 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.601 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 31.9 t-80 -64.94 -39.38 93.4 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.213 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 30' ' ' PHE . 48.4 mm -62.76 -46.58 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -60.41 -40.5 91.22 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.378 0.608 . . . . 0.0 109.782 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.57 -46.78 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.212 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 9.5 mm-40 -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.489 0.493 . . . . 0.0 109.917 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 56.1 t -65.27 -50.34 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.81 -37.79 87.22 Favored 'General case' 0 C--O 1.271 2.235 0 CA-C-O 122.201 1.001 . . . . 0.0 109.723 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.02 -47.4 84.92 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.046 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 4.6 pp -66.69 -33.73 76.29 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 74.6 mm-40 -59.32 -29.57 67.73 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 123.671 0.607 . . . . 0.0 110.484 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -106.47 -11.83 15.81 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.074 -1.05 . . . . 0.0 112.872 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -107.02 -43.84 4.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -172.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.8 -88.88 0.07 OUTLIER Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.241 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 0.5 OUTLIER 109.19 -3.9 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 128.185 2.594 . . . . 0.0 111.333 -176.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -64.22 -48.82 74.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -166.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 3.3 p-10 -126.1 -10.36 6.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.595 0.712 . . . . 0.0 109.904 176.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -68.46 -36.85 79.59 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 125.408 1.483 . . . . 0.0 112.883 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 11.2 tptm -67.38 -47.34 70.65 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -176.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.38 79.44 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.065 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 31.2 ttt180 -63.5 -48.89 75.74 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 124.515 1.126 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 3.9 pp -67.86 -31.53 71.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.5 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 69.7 mt -64.16 -34.26 77.66 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 121.531 0.681 . . . . 0.0 110.114 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.6 ttt180 -69.25 -36.31 77.01 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.16 -34.82 71.33 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.771 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB2' HD22 ' A' ' 102' ' ' LEU . 3.8 pp -71.39 -32.72 68.78 Favored 'General case' 0 C--O 1.201 -1.481 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.5 m -62.37 -38.46 89.68 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 123.724 0.81 . . . . 0.0 110.751 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' ARG . 74.0 t -70.66 -39.08 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 175.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.8 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.8 m -61.26 -41.93 97.77 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 122.581 1.181 . . . . 0.0 109.548 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -63.62 -33.12 74.91 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.832 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.56 60.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.447 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.8 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.368 3.4 p90 -72.04 -31.26 65.99 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.211 -0.996 . . . . 0.0 113.605 177.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.626 HG13 HD11 ' A' ' 98' ' ' LEU . 14.8 mm -65.53 -40.86 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.399 172.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.5 -43.56 98.65 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.93 -44.01 98.4 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.635 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -71.75 -36.8 70.54 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.776 -0.249 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' PHE . 39.7 ptt180 -69.7 -33.35 72.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 118.701 -1.2 . . . . 0.0 110.697 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.54 ' O ' ' HD2' ' A' ' 73' ' ' ARG . . . -67.65 -27.28 73.6 Favored Glycine 0 N--CA 1.429 -1.808 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -71.06 -38.72 72.48 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 68' ' ' ARG . 20.2 m-85 -64.97 -40.65 95.31 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.98 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 15.7 mm100 -56.58 -42.0 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.481 0.488 . . . . 0.0 109.868 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -62.4 -43.61 98.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 176.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 40.4 mt-10 -68.19 -31.32 70.77 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.008 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 96.1 mt -71.85 -17.82 62.11 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 177.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 3.7 mmmp? -90.78 -13.03 34.73 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 74' ' ' GLU . 99.2 mtt180 -66.81 -20.67 65.98 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.327 0.584 . . . . 0.0 109.882 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 m 73.54 -32.59 0.24 Allowed 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.52 1.528 . . . . 0.0 114.204 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.91 -76.13 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.001 0.52 . . . . 0.0 111.649 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 75' ' ' LEU . 7.0 mp 58.38 171.87 0.06 Allowed 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.525 1.631 . . . . 0.0 114.998 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.93 152.14 51.27 Favored 'General case' 0 C--N 1.274 -2.693 0 CA-C-N 111.828 -2.442 . . . . 0.0 104.679 168.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.45 -40.11 93.27 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 118.425 0.557 . . . . 0.0 110.774 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.57 -38.31 80.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.12 0.486 . . . . 0.0 110.477 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -67.2 -41.41 85.86 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.444 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 27.4 ttpp -60.94 -39.27 88.82 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 176.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -61.16 -34.22 74.67 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.246 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -74.1 -39.43 63.38 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.077 1.351 . . . . 0.0 109.028 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.552 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.1 m-85 -69.12 -45.32 70.46 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.21 -31.99 72.75 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.372 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.08 74.44 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.363 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.82 74.99 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.452 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -58.25 -41.91 85.23 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.66 -29.01 62.06 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.334 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.4 m -75.33 -39.69 59.16 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.73 -41.07 89.74 Favored Glycine 0 N--CA 1.415 -2.727 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 26.2 t70 -57.71 -49.3 76.97 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 122.738 0.415 . . . . 0.0 110.563 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 78.8 mt -62.75 -46.35 88.47 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.626 HD11 HG13 ' A' ' 64' ' ' ILE . 4.6 pp -70.67 -26.89 63.64 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.292 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.53 -38.4 84.16 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.579 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 5.1 mptp? -68.9 -32.84 72.77 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.995 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.32 -45.81 75.35 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 57' ' ' LEU . 71.9 mt -60.3 -51.04 71.22 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.543 1.137 . . . . 0.0 111.582 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.431 ' O ' ' HE2' ' A' ' 107' ' ' LYS . 67.0 mttm -69.95 -35.22 74.32 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.87 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.24 71.15 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.006 0.431 . . . . 0.0 110.274 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -71.22 -33.88 70.31 Favored 'General case' 0 C--O 1.184 -2.387 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' HG2' HD22 ' A' ' 54' ' ' LEU . 21.6 tm0? -63.98 -38.53 91.43 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -68.45 -33.03 73.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.295 175.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -68.71 -41.99 78.32 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 105' ' ' LEU . 94.4 t -63.65 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.37 -33.25 75.53 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.868 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.42 -42.65 68.02 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.787 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -65.48 -31.06 71.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.098 0 O-C-N 125.082 1.489 . . . . 0.0 112.231 173.002 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.5 p30 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.8 m -66.06 -25.65 67.13 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.927 0.394 . . . . 0.0 111.6 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.32 80.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.687 0.28 . . . . 0.0 110.83 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 p -73.35 -29.0 62.36 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.327 0.584 . . . . 0.0 110.918 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -67.33 -35.2 78.92 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.155 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -72.64 -48.53 38.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.971 174.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.1 81.81 5.06 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.838 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 -27.38 2.96 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -73.35 -39.6 65.08 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 7.9 tp -69.68 -34.23 60.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.703 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 9.4 tp10 -63.35 -48.19 79.0 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.224 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 19.7 ptpt -64.97 -36.43 84.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.304 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.1 m-85 -57.7 -44.12 85.65 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 123.161 0.288 . . . . 0.0 110.508 177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.68 -45.91 85.0 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 123.803 0.69 . . . . 0.0 109.248 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 21.4 mt -63.58 -44.87 92.8 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 122.084 0.945 . . . . 0.0 109.794 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 29' ' ' LYS . 61.1 m-70 -67.68 -36.24 80.32 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.629 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.4 mt -62.45 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 123.708 0.63 . . . . 0.0 109.785 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -61.5 -45.67 93.26 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 121.589 0.709 . . . . 0.0 110.512 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.9 -36.98 81.14 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.9 tp10 -59.91 -41.2 91.17 Favored 'General case' 0 C--O 1.196 -1.742 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 72.9 t -58.7 -50.43 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 C-N-CA 124.247 1.019 . . . . 0.0 109.355 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.2 -40.64 94.47 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-O 121.957 0.884 . . . . 0.0 110.846 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.41 -42.99 82.33 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.501 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.0 pp -68.35 -34.61 76.4 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.026 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 70.0 mt-10 -62.45 -36.57 82.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -12.65 48.51 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.091 0.948 . . . . 0.0 111.099 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.45 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 5.9 m -91.02 -37.63 13.33 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.061 -1.427 . . . . 0.0 112.247 -177.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.88 -49.9 0.3 Allowed Glycine 0 C--O 1.213 -1.193 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER 75.4 12.78 3.17 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 126.436 1.895 . . . . 0.0 112.25 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -63.28 -50.34 70.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.241 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -126.03 -26.74 3.37 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.002 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.82 -37.89 83.54 Favored 'General case' 0 C--O 1.195 -1.771 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HB2' HD13 ' A' ' 41' ' ' LEU . 26.7 tttm -67.1 -49.37 65.2 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.448 -176.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.96 93.03 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.5 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -69.24 -41.28 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.619 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.75 -38.08 89.77 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 122.92 0.488 . . . . 0.0 110.991 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 64.3 mt -64.62 -33.22 75.43 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.196 0.522 . . . . 0.0 110.427 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.98 -33.62 74.98 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 59' ' ' VAL . 31.1 tt0 -66.49 -38.79 88.03 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.372 176.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 3.1 pp -68.26 -31.11 70.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 118.807 -1.157 . . . . 0.0 109.398 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.9 m -64.37 -38.1 89.85 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.38 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -73.95 -37.72 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.955 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.744 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 35.6 p -61.97 -41.15 97.68 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.203 0.525 . . . . 0.0 112.236 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 64' ' ' ILE . 13.2 pt-20 -69.26 -30.43 68.55 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.0 96.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.252 14.2 p90 -76.21 -31.84 58.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 117.975 -1.49 . . . . 0.0 111.827 178.663 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -66.7 -37.32 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.75 -36.78 81.15 Favored 'General case' 0 CA--C 1.511 -0.538 0 O-C-N 122.377 -0.202 . . . . 0.0 111.456 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.87 92.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 8.8 t -71.0 -35.31 72.03 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 65.7 mtp180 -69.5 -37.67 77.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.744 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.91 -26.63 70.28 Favored Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.622 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 81.5 t80 -70.3 -48.17 57.86 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -57.98 -38.54 76.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.974 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 15.3 mm100 -64.79 -45.48 86.12 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.469 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 4.8 ptm180 -70.6 -32.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.378 0.608 . . . . 0.0 110.612 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.01 -29.55 66.64 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.152 0.981 . . . . 0.0 109.305 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -71.64 -15.13 62.23 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.493 0.663 . . . . 0.0 110.099 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 72' ' ' GLN . 94.4 mttt -103.48 -5.33 22.93 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.222 1.009 . . . . 0.0 110.362 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -52.08 -27.44 13.95 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.704 1.601 . . . . 0.0 114.401 -174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 m 72.53 -38.25 0.41 Allowed 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.02 0.928 . . . . 0.0 110.607 -173.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.76 68.71 9.48 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.291 1.043 . . . . 0.0 109.006 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.6 pt? -162.69 154.4 18.13 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 113.373 -1.74 . . . . 0.0 106.416 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.69 -173.61 2.63 Favored 'General case' 0 C--N 1.275 -2.654 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 4.3 pp -57.69 -29.48 64.7 Favored 'General case' 0 C--O 1.202 -1.435 0 O-C-N 123.416 0.447 . . . . 0.0 111.67 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.2 mm? -56.1 -48.22 76.57 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-O 121.838 0.827 . . . . 0.0 110.246 175.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -70.37 -45.07 66.8 Favored 'General case' 0 N--CA 1.418 -2.041 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.705 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 29.4 mtpp -56.08 -41.26 74.88 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.161 177.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -65.88 -34.26 77.72 Favored 'General case' 0 C--O 1.208 -1.085 0 O-C-N 123.769 0.668 . . . . 0.0 111.575 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.1 -40.79 62.47 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.013 0.925 . . . . 0.0 109.915 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 4.4 m-85 -74.04 -39.05 63.82 Favored 'General case' 0 CA--C 1.474 -1.966 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.46 -34.86 79.28 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.64 -44.43 70.62 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.995 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.83 79.21 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.281 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 81.9 mt -60.14 -41.75 93.38 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 122.386 0.274 . . . . 0.0 110.763 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.95 -35.88 74.85 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 123.407 0.442 . . . . 0.0 110.622 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 54.7 m -65.41 -49.93 67.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-O 121.863 0.839 . . . . 0.0 109.186 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.71 -43.47 96.27 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.334 -1.303 . . . . 0.0 111.883 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 13.1 t70 -60.38 -44.83 95.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.532 0.333 . . . . 0.0 111.348 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 94' ' ' THR . 2.1 pp -63.63 -48.2 78.25 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.326 -175.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.02 -27.63 63.82 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.413 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.5 tt -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -69.5 -31.33 69.51 Favored 'General case' 0 N--CA 1.414 -2.252 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.575 176.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.38 -35.06 70.95 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.741 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 99' ' ' LEU . 85.8 mt -55.97 -50.37 70.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.531 0.732 . . . . 0.0 109.628 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -38.78 92.37 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.777 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.75 75.37 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -70.43 -36.27 73.89 Favored 'General case' 0 C--O 1.187 -2.231 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.005 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.27 -45.93 89.9 Favored 'General case' 0 CA--C 1.487 -1.444 0 O-C-N 123.719 0.637 . . . . 0.0 110.765 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -68.02 -32.38 72.71 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 123.376 0.423 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -69.03 -44.2 73.19 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.235 0.614 . . . . 0.0 110.178 175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 105' ' ' LEU . 92.6 t -68.48 -39.84 81.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.379 0.609 . . . . 0.0 109.932 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -58.24 -45.63 87.41 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.35 -41.32 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.686 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.4 m -57.59 -32.73 67.47 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 122.867 0.467 . . . . 0.0 112.104 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 117.617 -1.182 . . . . 0.0 112.756 -178.056 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -63.19 -25.35 68.3 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 121.557 -0.715 . . . . 0.0 111.826 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.85 -47.2 69.61 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 122.087 -0.383 . . . . 0.0 110.357 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 p -70.73 -32.48 69.68 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.38 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -58.61 -44.35 89.89 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.674 0.749 . . . . 0.0 110.643 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -76.14 -28.2 57.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.422 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -96.66 1.01 50.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.389 0.614 . . . . 0.0 112.062 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.74 -24.25 66.92 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.7 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.38 -41.87 93.26 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.043 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mp -71.65 -34.42 52.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.44 -41.25 89.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -59.28 -46.5 88.38 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.608 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -57.96 -45.28 86.92 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 123.191 0.307 . . . . 0.0 111.64 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 81.4 mt -61.78 -45.43 93.9 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.357 0.411 . . . . 0.0 110.72 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.256 4.4 pp -67.8 -35.26 78.34 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.854 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -61.05 -51.9 67.21 Favored 'General case' 0 CA--C 1.476 -1.876 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.7 mt -61.29 -40.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.326 -176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.7 m -61.58 -45.09 95.62 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 121.341 0.591 . . . . 0.0 109.819 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -65.0 -36.86 85.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.827 0.851 . . . . 0.0 110.38 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -33.91 68.7 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.149 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.0 t -59.64 -41.91 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.87 -42.58 94.72 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.205 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.84 -47.85 81.59 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.057 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.4 pp -65.23 -33.72 76.66 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.353 0.261 . . . . 0.0 111.103 -178.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.18 -28.04 66.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 123.424 0.452 . . . . 0.0 111.697 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.84 -12.55 16.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.396 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.496 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 59.9 m -99.76 -67.72 0.84 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.194 -175.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.74 70.84 0.11 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -175.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.504 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 40.5 p30 -61.84 -33.13 73.62 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -173.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -31.38 70.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -168.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.07 -44.1 3.64 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.931 0.872 . . . . 0.0 110.284 -174.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.91 -35.55 74.67 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.411 -1.268 . . . . 0.0 113.087 -172.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -60.48 -40.79 92.55 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.548 -176.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.86 88.82 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.763 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -61.43 -50.27 73.48 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.536 0.684 . . . . 0.0 109.257 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.16 -33.55 73.61 Favored 'General case' 0 N--CA 1.42 -1.949 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.717 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 30.0 mt -63.95 -33.67 76.25 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.153 175.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -69.13 -31.47 70.17 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.01 -29.11 68.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.356 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.295 3.0 pp -74.93 -30.83 61.36 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 118.27 -1.372 . . . . 0.0 110.408 173.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.621 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 14.7 m -63.36 -36.37 83.47 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 121.5 0.667 . . . . 0.0 110.554 176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.8 -37.0 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 119.429 -0.908 . . . . 0.0 109.234 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.863 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 26.3 m -60.94 -31.06 70.61 Favored 'General case' 0 C--O 1.257 1.471 0 CA-C-O 122.896 1.331 . . . . 0.0 110.92 175.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 58' ' ' THR . 7.9 tp10 -67.66 -39.42 84.53 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 112.627 -2.078 . . . . 0.0 107.039 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -28.0 66.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.303 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.863 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 3.0 m-85 -65.22 -44.71 87.43 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 119.179 -1.008 . . . . 0.0 108.328 175.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.4 mm -61.92 -49.48 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.41 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -56.18 -45.91 79.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.155 0.284 . . . . 0.0 111.456 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.52 93.65 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.28 -0.486 . . . . 0.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 m -72.36 -32.81 66.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 42.1 mtp180 -69.64 -43.15 73.22 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.611 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.92 -28.52 72.85 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 56.7 t80 -66.38 -51.91 52.27 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.6 m-85 -61.57 -38.56 87.94 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.344 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.58 -50.3 70.44 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 119.105 -0.474 . . . . 0.0 112.175 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.14 -30.96 68.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 117.891 -1.523 . . . . 0.0 112.443 177.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 77' ' ' ARG . 15.4 mm-40 -64.79 -30.27 71.27 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.379 0.609 . . . . 0.0 111.302 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 80' ' ' LEU . 7.6 tt -69.62 -16.45 63.38 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 122.057 0.932 . . . . 0.0 109.525 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -97.62 -5.98 34.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.425 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 41.0 mmt180 -62.96 -26.67 68.94 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m 75.16 -13.2 0.87 Allowed 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 124.288 1.035 . . . . 0.0 111.426 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -31.14 65.71 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.28 0.562 . . . . 0.0 110.808 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 85' ' ' LYS . 2.7 pt? -59.21 154.64 15.8 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 123.355 1.55 . . . . 0.0 110.927 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -117.04 177.31 4.76 Favored 'General case' 1 C--N 1.232 -4.508 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.97 -30.14 65.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 119.017 0.826 . . . . 0.0 109.802 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.04 -49.14 78.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.606 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 31.6 mm-40 -70.78 -39.4 73.22 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.539 ' HB2' HD12 ' A' ' 80' ' ' LEU . 56.5 tttm -57.52 -38.73 75.14 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.001 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.56 -35.07 78.32 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.787 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -74.29 -32.34 62.86 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 123.628 0.771 . . . . 0.0 111.218 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.6 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.4 m-85 -68.28 -48.89 63.82 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.2 -31.64 72.6 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.958 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.15 79.34 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.49 -0.884 . . . . 0.0 110.09 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.38 79.6 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.548 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 84.7 mt -58.85 -40.19 83.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.58 -35.27 72.95 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.696 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -70.43 -45.37 66.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -65.98 -36.08 91.54 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.591 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.46 -42.44 95.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 111.43 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 84.4 mt -64.22 -49.64 71.17 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.456 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.46 -26.15 63.51 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.367 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 6.4 tt -63.54 -43.87 95.83 Favored 'General case' 0 C--O 1.253 1.249 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -69.55 -33.38 72.69 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.811 177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -74.58 -31.17 61.97 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.816 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.88 -47.11 87.07 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 124.528 1.131 . . . . 0.0 108.039 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -69.22 -33.75 73.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.073 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.32 -43.57 66.79 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 121.046 0.45 . . . . 0.0 110.492 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.03 -33.75 74.13 Favored 'General case' 0 C--O 1.186 -2.273 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.67 -40.87 84.76 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 123.469 0.708 . . . . 0.0 110.08 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.3 -33.2 73.91 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.945 0.402 . . . . 0.0 110.183 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -69.14 -43.99 73.25 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.787 0.803 . . . . 0.0 109.336 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.553 HG12 ' HD3' ' A' ' 50' ' ' LYS . 54.6 t -65.85 -42.2 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.675 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.99 -32.56 73.04 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.566 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.6 -31.01 61.9 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 m -75.56 -28.18 58.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.443 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.504 ' HG3' ' HB2' ' A' ' 46' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.42 -1.929 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . 19.0 m120 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 120.983 0.421 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -63.52 -32.99 74.61 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.92 84.19 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 p -74.29 -39.09 63.16 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -66.42 -35.67 80.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -76.84 -25.87 53.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -85.07 -10.57 56.75 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.609 0.719 . . . . 0.0 111.058 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -73.4 -17.82 61.22 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.13 -41.91 99.41 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.19 -34.59 31.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.9 -48.15 82.86 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.623 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -66.19 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.383 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -65.64 -41.71 92.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' HG22 ' A' ' 34' ' ' ILE . 5.9 tt -60.91 -42.88 98.92 Favored 'General case' 0 C--O 1.249 1.036 0 C-N-CA 123.746 0.818 . . . . 0.0 109.743 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.13 -35.55 74.16 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 119.508 -0.877 . . . . 0.0 111.794 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.9 t60 -71.96 -37.17 69.99 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.035 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.8 tt -69.14 -30.71 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.5 m -65.13 -37.5 87.65 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -64.61 -36.11 83.19 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.219 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.714 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 10.3 mm-40 -61.74 -36.12 80.07 Favored 'General case' 0 C--O 1.214 -0.808 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 t -63.77 -44.28 98.21 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.75 -39.95 95.53 Favored 'General case' 0 C--O 1.266 1.922 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.191 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 12.5 t70 -62.05 -45.15 94.81 Favored 'General case' 0 N--CA 1.408 -2.545 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.175 -178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 29.1 mt -65.3 -35.9 82.43 Favored 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.5 -29.49 67.89 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.839 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -106.19 -12.22 15.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.839 176.109 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -108.66 -80.97 0.57 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.895 0.878 . . . . 0.0 113.022 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.93 91.32 0.14 Allowed Glycine 0 N--CA 1.43 -1.746 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 3.5 p-10 -93.82 -11.08 32.0 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -57.88 -45.62 86.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -124.74 -29.31 3.43 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 122.327 1.061 . . . . 0.0 111.096 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' NH1' ' A' ' 52' ' ' ARG . 36.9 mt-10 -61.57 -32.12 72.19 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 14.8 tptm -56.63 -49.3 75.39 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.721 0.772 . . . . 0.0 109.148 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.75 93.94 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.045 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 41.9 ttp180 -61.24 -43.98 98.0 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.878 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -63.59 -36.35 83.52 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.555 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 109' ' ' VAL . 82.7 mt -66.78 -34.67 78.34 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.938 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 67.7 ttt180 -61.35 -33.48 73.7 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.13 -37.51 81.18 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.216 0.532 . . . . 0.0 109.873 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.318 3.6 pp -73.37 -29.04 62.37 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.846 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.7 m -60.66 -42.14 96.44 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.99 -40.9 88.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.792 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 17.8 m -61.61 -46.01 91.65 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 64' ' ' ILE . 10.5 pt-20 -67.84 -29.27 68.37 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.159 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.02 88.19 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.792 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.261 12.3 p90 -76.46 -32.13 58.21 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 118.316 -1.354 . . . . 0.0 111.861 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.96 -38.78 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.03 -40.92 82.79 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.31 -34.92 89.97 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.372 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.572 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 64.8 m -68.4 -35.36 77.55 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -69.95 -38.32 76.1 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.888 -0.725 . . . . 0.0 111.264 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.545 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.14 -29.0 73.71 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 174.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 67' ' ' SER . 29.4 t80 -68.85 -45.1 71.95 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.388 1.075 . . . . 0.0 108.327 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.09 -39.52 93.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.413 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.55 -37.48 73.16 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.955 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 9.8 mpt_? -69.51 -44.31 71.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.261 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 70' ' ' TYR . 20.9 mm-40 -61.1 -29.79 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.019 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.35 -17.63 64.83 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.346 0.593 . . . . 0.0 110.622 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -100.73 -5.09 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.141 0.576 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -53.67 -27.7 29.13 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.892 1.277 . . . . 0.0 113.86 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.8 m 72.73 -37.49 0.39 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.521 1.128 . . . . 0.0 111.007 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -84.54 68.44 10.32 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 122.454 1.121 . . . . 0.0 109.172 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -163.22 159.12 22.45 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -131.0 -170.38 2.35 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 174.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 83' ' ' LEU . 3.7 pp -55.31 -30.08 59.5 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 123.655 0.597 . . . . 0.0 111.725 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.5 tm? -58.98 -47.44 85.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.5 0.666 . . . . 0.0 109.516 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 14.0 mm-40 -70.36 -40.63 73.92 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.978 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 10.0 mtpm? -56.34 -42.9 78.49 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -58.34 -33.5 69.6 Favored 'General case' 0 C--O 1.205 -1.267 0 O-C-N 124.358 1.036 . . . . 0.0 111.62 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' OD1' ' HB3' ' A' ' 18' ' ' ASN . 32.6 m-80 -74.48 -39.91 62.17 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 123.716 0.806 . . . . 0.0 109.9 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.631 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.6 m-85 -70.57 -48.69 54.08 Favored 'General case' 0 CA--C 1.472 -2.023 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 8.1 pt-20 -67.43 -30.51 70.27 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.92 78.2 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 118.245 -1.382 . . . . 0.0 109.545 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.39 68.61 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.156 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.3 mt -65.84 -41.46 91.71 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.801 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.55 63.13 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.517 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.5 m -66.23 -41.85 89.46 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.053 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -66.93 -37.37 92.13 Favored Glycine 0 C--O 1.198 -2.122 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 18.0 t70 -61.64 -47.59 84.7 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 122.856 0.462 . . . . 0.0 112.193 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 94' ' ' THR . 3.2 pp -66.12 -45.36 81.38 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.082 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.14 -27.78 63.81 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.167 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 4.6 tt -69.52 -37.53 77.17 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -64.73 -33.09 75.15 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.023 174.068 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' HB3' HD11 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -70.52 -44.26 67.93 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.546 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.8 mt -55.99 -47.14 78.28 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.529 0.732 . . . . 0.0 109.517 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.79 -48.82 77.49 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.91 87.41 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 120.693 0.282 . . . . 0.0 110.63 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -70.96 -34.02 71.03 Favored 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.35 -43.59 92.79 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -68.03 -32.87 73.54 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 119.737 -0.785 . . . . 0.0 112.188 175.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -69.08 -42.23 76.49 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.065 0.936 . . . . 0.0 109.98 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.448 ' HB ' HD21 ' A' ' 54' ' ' LEU . 80.3 t -66.24 -44.72 91.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.694 177.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.625 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.32 -32.84 72.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 174.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 13.9 t70 -70.33 -33.88 72.0 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.846 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.4 p -83.58 -25.98 30.44 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.319 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.242 0.696 0 O-C-N 124.909 1.38 . . . . 0.0 111.044 174.839 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -62.99 -42.44 99.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.69 79.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.26 0.553 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -65.62 -41.11 93.08 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.351 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.53 -38.0 89.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.403 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -66.79 -30.88 71.19 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.422 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 71' ' ' PHE . 3.7 m-30 -84.3 -5.97 59.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.993 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -73.44 -19.58 60.92 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.92 -30.64 67.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.265 0.555 . . . . 0.0 110.462 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 mm -78.34 -36.29 20.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 10.1 tp10 -59.89 -39.2 84.53 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.523 172.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -65.94 -39.69 90.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.563 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.7 m-85 -61.99 -41.6 98.22 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 121.013 0.435 . . . . 0.0 110.174 173.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.67 -35.32 77.62 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.262 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 51.7 mt -66.36 -45.54 79.8 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 42.4 t-80 -58.48 -45.92 87.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 113.803 -1.544 . . . . 0.0 110.79 -178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.728 ' HA ' HD11 ' A' ' 53' ' ' LEU . 88.0 mt -62.26 -46.46 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 O-C-N 123.398 0.436 . . . . 0.0 110.21 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -66.03 -37.74 86.63 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -63.53 -35.67 81.26 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.733 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 22.1 mm-40 -70.83 -38.92 73.27 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 123.244 0.34 . . . . 0.0 110.724 177.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.706 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 21.2 t -60.98 -41.22 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 121.628 0.728 . . . . 0.0 109.085 172.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.37 -43.15 91.65 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 122.137 0.97 . . . . 0.0 110.59 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . 14.5 t70 -69.21 -30.62 68.83 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.814 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.706 ' CD2' ' HA ' ' A' ' 38' ' ' VAL . 4.3 pp -69.92 -35.44 74.58 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.554 -0.717 . . . . 0.0 111.11 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 43.9 mt-10 -64.15 -31.03 72.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.094 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 40' ' ' ASP . 12.4 ptmm? -100.13 -22.49 15.16 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.3 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.1 m -153.25 -76.51 0.12 Allowed 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -164.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -93.43 64.38 1.91 Allowed Glycine 0 CA--C 1.489 -1.546 0 N-CA-C 115.061 0.785 . . . . 0.0 115.061 -166.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -103.74 18.59 21.59 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 176.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.51 -49.87 56.44 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.297 0.57 . . . . 0.0 111.475 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -150.27 -16.19 0.25 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.332 1.063 . . . . 0.0 109.889 -176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 22.1 mp0 -61.67 -35.86 79.2 Favored 'General case' 0 C--O 1.194 -1.834 0 C-N-CA 125.469 1.508 . . . . 0.0 112.54 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.639 ' HD3' HG12 ' A' ' 109' ' ' VAL . 1.8 tmmm? -63.19 -49.37 74.51 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.09 84.81 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.214 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.461 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 ' HA ' ' A' ' 34' ' ' ILE . 40.9 tp -63.92 -37.58 87.93 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.986 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 87.4 mt -62.03 -33.29 74.09 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.16 0.505 . . . . 0.0 110.386 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mmt180 -68.39 -36.95 79.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -62.46 -37.63 86.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' HB3' HD13 ' A' ' 34' ' ' ILE 0.263 4.1 pp -72.31 -29.97 64.35 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 119.964 -0.695 . . . . 0.0 110.772 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -61.62 -39.6 91.87 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-O 121.931 0.872 . . . . 0.0 108.789 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ARG . 44.1 t -67.42 -40.44 84.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.793 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.861 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 21.5 t -59.89 -48.75 80.41 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.235 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 64' ' ' ILE . 12.6 pt-20 -64.49 -29.99 71.02 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.63 76.95 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.861 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.273 5.9 p90 -76.56 -32.49 58.2 Favored 'General case' 0 CA--C 1.497 -1.078 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.993 -178.098 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' CA ' ' A' ' 95' ' ' GLY . 14.8 tt -68.21 -34.51 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.308 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.01 -44.6 94.46 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.02 91.14 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.586 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -69.26 -43.63 73.55 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 110.012 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.98 -33.61 72.29 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.055 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.425 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -65.2 -30.18 77.18 Favored Glycine 0 N--CA 1.433 -1.502 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 173.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.38 -38.86 81.75 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 24' ' ' PHE . 26.1 m-85 -63.52 -38.93 93.02 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.422 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -56.61 -43.11 79.84 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.45 0.469 . . . . 0.0 109.85 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.9 mpt_? -63.55 -41.96 98.41 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 6.3 mm-40 -64.47 -33.24 75.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.94 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.58 -16.09 63.75 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -103.47 -7.48 20.89 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.13 0.491 . . . . 0.0 111.229 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 74' ' ' GLU . 40.5 mmm-85 -62.03 -42.41 99.14 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m 77.79 -4.77 2.21 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.343 1.057 . . . . 0.0 109.072 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.24 -15.09 59.12 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.962 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -92.1 148.53 22.11 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.385 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -118.34 -162.43 0.89 Allowed 'General case' 1 C--N 1.232 -4.506 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 118.511 0.596 . . . . 0.0 110.472 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.1 -49.27 65.57 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.597 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 25.5 mp0 -70.44 -41.71 72.48 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.646 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -58.78 -37.77 77.04 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.122 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -65.52 -33.27 75.54 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.923 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -74.14 -38.59 63.7 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 124.441 1.096 . . . . 0.0 110.378 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 8.0 m-85 -70.59 -43.98 68.25 Favored 'General case' 0 CA--C 1.472 -2.041 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.75 -32.36 72.91 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.78 90.74 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.638 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.81 -38.43 70.22 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.524 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 92.4 mt -58.63 -42.88 89.31 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 122.038 0.135 . . . . 0.0 110.688 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.01 -39.21 75.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.116 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.7 m -66.51 -43.66 84.69 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.985 0.898 . . . . 0.0 109.348 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.431 ' CA ' HD11 ' A' ' 64' ' ' ILE . . . -68.48 -41.32 85.17 Favored Glycine 0 N--CA 1.408 -3.201 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.337 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.32 -45.18 89.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.813 0.307 . . . . 0.0 110.481 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.69 -45.0 92.01 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 2.5 pp -71.4 -27.46 63.33 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.033 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.93 -38.56 79.6 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -66.11 -33.38 75.64 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.299 -1.319 . . . . 0.0 108.487 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.64 -35.93 67.89 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.833 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 105' ' ' LEU . 94.9 mt -58.16 -48.16 81.14 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.301 0.64 . . . . 0.0 110.942 176.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.438 ' HA ' HE21 ' A' ' 106' ' ' GLN . 22.3 pttp -71.81 -34.71 69.58 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.352 -0.939 . . . . 0.0 112.608 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.55 71.92 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.69 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.83 -38.31 73.21 Favored 'General case' 0 C--O 1.189 -2.094 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.438 HE21 ' HA ' ' A' ' 103' ' ' LYS . 11.1 pt20 -65.13 -31.76 73.11 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.153 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -68.31 -35.33 77.65 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.345 174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -67.62 -45.3 75.8 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.451 0.643 . . . . 0.0 109.687 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.639 HG12 ' HD3' ' A' ' 50' ' ' LYS . 69.2 t -67.17 -38.05 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 0 C-N-CA 123.914 0.886 . . . . 0.0 111.363 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -60.3 -39.85 88.41 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.03 -30.34 65.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.135 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 -40.93 72.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.103 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.625 ' HB2' ' NZ ' ' A' ' 50' ' ' LYS . 37.3 mt-10 . . . . . 0 CA--C 1.497 -1.072 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 2.7 m-20 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.9 p -79.75 -39.2 31.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.189 0.519 . . . . 0.0 112.267 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.25 72.84 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.025 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.505 ' OG1' ' HB3' ' A' ' 18' ' ' ASN . 42.2 p -65.06 -30.67 71.64 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.059 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.613 ' HA ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm0? -62.15 -37.48 85.34 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.168 178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -80.22 -25.02 39.82 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.352 0.596 . . . . 0.0 110.378 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' A' ' 27' ' ' ILE . 9.4 m-30 -97.31 12.75 31.96 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.613 ' CE1' ' HA ' ' A' ' 22' ' ' GLN . 32.8 m170 -61.8 -39.76 92.85 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.328 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.06 -35.44 78.65 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.116 0.484 . . . . 0.0 110.742 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 64' ' ' ILE . 3.3 mp -75.5 -35.04 31.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-O 121.33 0.586 . . . . 0.0 109.461 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.7 tt0 -66.55 -35.06 79.31 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 25' ' ' HIS . 98.8 mttt -61.77 -41.32 97.55 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.35 -42.51 87.07 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 123.377 0.423 . . . . 0.0 111.097 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 65.8 tp -58.1 -45.75 86.68 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.021 178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 28' ' ' GLU . 27.4 mt -65.93 -42.42 90.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -57.68 -44.33 85.71 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.595 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 90.3 mt -63.41 -45.92 96.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -63.27 -42.54 99.14 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-O 121.475 0.655 . . . . 0.0 110.931 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.246 0.546 . . . . 0.0 110.153 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 53' ' ' LEU . 5.9 tp10 -63.31 -31.76 73.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.058 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' ILE . 82.7 t -62.48 -45.83 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.834 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.92 -44.33 93.25 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 121.974 0.892 . . . . 0.0 109.919 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -61.66 -47.3 85.97 Favored 'General case' 0 C--O 1.191 -1.988 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.134 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.3 pp -64.38 -35.19 80.07 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 41.3 mt-10 -69.68 -25.41 63.88 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . 0.358 0.2 OUTLIER -99.21 -12.29 20.55 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 118.469 -1.292 . . . . 0.0 112.769 175.419 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 14.6 m -88.28 -31.18 19.13 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 125.289 1.435 . . . . 0.0 112.17 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.13 -62.62 0.26 Allowed Glycine 0 C--O 1.217 -0.964 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.131 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.272 2.5 p-10 67.58 29.08 7.28 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.443 1.897 . . . . 0.0 113.274 174.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' H ' ' HD3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -68.4 -49.87 56.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.83 0.824 . . . . 0.0 109.465 178.233 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.8 -14.49 4.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.596 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.79 -35.03 75.43 Favored 'General case' 0 C--O 1.211 -0.964 0 C-N-CA 124.074 0.95 . . . . 0.0 111.582 -174.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 109' ' ' VAL . 50.7 tptt -62.29 -50.39 71.86 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.508 0.67 . . . . 0.0 109.223 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.03 76.15 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.684 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -61.37 -39.54 91.01 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.516 0.726 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 37' ' ' GLU . 42.7 tp -69.59 -36.54 76.33 Favored 'General case' 0 N--CA 1.42 -1.96 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.771 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 71.8 mt -62.3 -33.88 75.53 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.189 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -69.35 -33.8 73.63 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.19 -33.0 74.96 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.79 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.275 2.2 pp -74.57 -29.36 61.31 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.171 177.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 m -61.36 -35.97 78.92 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.01 -38.93 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.193 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.774 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 31.5 m -61.43 -48.47 81.03 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.489 0.662 . . . . 0.0 111.837 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.6 -29.15 69.71 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.417 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.69 96.82 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.047 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.774 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.336 14.9 p90 -72.47 -31.12 65.16 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.419 -1.312 . . . . 0.0 112.018 176.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 98' ' ' LEU . 10.4 mm -59.74 -43.63 91.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.687 171.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.12 -40.34 95.58 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.963 0.411 . . . . 0.0 109.995 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.71 -47.81 89.36 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.252 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 p -70.59 -33.18 70.78 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 122.741 -0.27 . . . . 0.0 110.834 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 57.4 mtp180 -66.53 -46.98 74.33 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.855 177.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.01 70.35 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.44 -50.03 55.62 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.5 m-85 -65.19 -38.43 90.46 Favored 'General case' 0 N--CA 1.425 -1.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.249 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.37 -33.68 76.42 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -64.5 -42.58 95.73 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.61 -30.2 71.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.221 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.37 -16.79 64.35 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.834 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -112.54 -6.62 13.94 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.19 -29.0 70.43 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.684 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 29.1 m 80.11 -22.01 0.3 Allowed 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.419 1.088 . . . . 0.0 110.141 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.16 71.42 10.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.677 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.75 152.63 19.85 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -116.33 172.62 7.08 Favored 'General case' 0 C--N 1.251 -3.693 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.06 -29.84 61.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.708 0.685 . . . . 0.0 109.845 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -50.14 74.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.482 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 41.0 mt-10 -72.34 -40.1 67.66 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.83 -176.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.16 -40.12 73.4 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.62 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.41 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 61.3 t80 -63.96 -32.79 74.45 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.78 0.675 . . . . 0.0 111.589 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.25 -37.7 63.68 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 123.597 0.759 . . . . 0.0 109.178 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.716 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 9.8 m-85 -70.56 -49.31 49.38 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.319 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.1 pt-20 -66.11 -31.73 72.76 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.71 72.97 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 117.695 -1.602 . . . . 0.0 110.467 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.53 72.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 88.9 mt -59.13 -40.25 84.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.757 0.313 . . . . 0.0 110.162 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -73.34 -33.35 65.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.02 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.6 m -71.8 -40.66 69.02 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.69 -38.43 89.93 Favored Glycine 0 N--CA 1.432 -1.626 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.241 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.488 ' O ' ' HD3' ' A' ' 100' ' ' LYS . 20.2 t70 -63.47 -49.07 75.07 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 120.752 0.311 . . . . 0.0 110.624 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 82.1 mt -60.21 -46.96 87.97 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 64' ' ' ILE . 3.5 pp -71.16 -27.56 63.63 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.907 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.53 -38.76 84.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 96' ' ' ASP . 1.2 mptm? -69.34 -31.12 69.35 Favored 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.728 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.402 ' OD1' HD11 ' A' ' 31' ' ' LEU . 13.9 t70 -69.36 -40.43 77.49 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 105' ' ' LEU . 97.1 mt -55.99 -48.57 75.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.242 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.15 -39.67 87.18 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.088 0.955 . . . . 0.0 111.154 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.4 -41.46 72.96 Favored 'General case' 0 C--O 1.255 1.362 0 CA-C-O 121.109 0.48 . . . . 0.0 110.358 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -70.45 -33.28 71.1 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 23.6 tt0 -57.9 -46.59 84.69 Favored 'General case' 0 C--O 1.196 -1.712 0 C-N-CA 123.39 0.676 . . . . 0.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.616 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 4.0 mptp? -68.17 -33.23 74.06 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 119.994 -0.682 . . . . 0.0 112.084 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -63.08 -50.58 70.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 50' ' ' LYS . 98.6 t -66.74 -44.12 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.658 -176.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.616 ' HG2' ' HA ' ' A' ' 107' ' ' LYS . 4.0 pt20 -65.38 -31.75 73.02 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.105 0.479 . . . . 0.0 111.637 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -77.74 -27.8 50.54 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.661 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -63.52 -46.95 83.68 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 119.103 -0.475 . . . . 0.0 109.721 -173.596 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.5 t30 . . . . . 0 C--O 1.218 -0.587 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.6 p -62.22 -38.69 90.15 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 123.62 0.768 . . . . 0.0 112.499 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.74 88.55 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 121.723 0.773 . . . . 0.0 110.845 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -28.61 65.94 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.978 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.84 -40.55 96.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 172.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 19' ' ' THR . 39.8 mmt180 -62.21 -40.8 97.31 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -103.91 18.42 22.03 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -65.09 -26.02 68.04 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.707 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 10.2 pt-20 -62.07 -41.11 97.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 110.628 175.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.453 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 12.7 mm -77.42 -35.8 22.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.505 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.06 -36.6 83.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.618 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 15.4 m-85 -65.47 -45.61 83.03 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.71 175.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 85.8 mt -58.19 -45.93 86.7 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 123.278 0.362 . . . . 0.0 111.005 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.23 -35.8 80.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.367 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 30.9 t60 -67.84 -45.14 75.47 Favored 'General case' 0 C--O 1.208 -1.084 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.52 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.7 mt -63.25 -36.58 76.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 122.931 0.492 . . . . 0.0 111.416 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m -64.67 -39.62 94.0 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.45 -31.48 71.69 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.513 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.0 mm-40 -65.17 -31.52 72.75 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 122.806 0.442 . . . . 0.0 110.524 173.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.5 t -65.95 -37.67 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -68.36 -35.2 77.38 Favored 'General case' 0 C--O 1.257 1.493 0 CA-C-O 121.704 0.764 . . . . 0.0 110.225 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.83 -42.38 98.96 Favored 'General case' 0 C--O 1.188 -2.16 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 38' ' ' VAL . 3.9 pp -68.59 -33.57 74.28 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 121.158 0.504 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -64.3 -24.69 67.74 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.065 0.46 . . . . 0.0 110.718 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 -12.24 16.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.209 -0.932 . . . . 0.0 112.744 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -109.94 -41.01 4.6 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.213 1.005 . . . . 0.0 111.248 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.62 -78.82 0.33 Allowed Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 -175.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.6 m120 50.51 49.03 21.55 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.571 1.148 . . . . 0.0 111.88 177.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.1 -35.57 79.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.37 -25.51 11.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.522 0.677 . . . . 0.0 110.005 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' OE2' ' HD2' ' A' ' 52' ' ' ARG . 5.5 tp10 -67.8 -35.51 78.78 Favored 'General case' 0 C--O 1.2 -1.517 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.222 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.0 ttpp -55.52 -49.52 72.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.006 0.431 . . . . 0.0 111.197 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.02 79.87 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.022 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.619 ' HD2' ' OE2' ' A' ' 49' ' ' GLU . 44.4 ttm105 -67.15 -40.03 86.63 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.308 0.575 . . . . 0.0 109.472 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.55 -36.79 76.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.311 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.6 mt -64.62 -33.43 75.92 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' THR . 29.0 mmm180 -69.69 -27.87 65.37 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.496 0.665 . . . . 0.0 109.626 176.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 59' ' ' VAL . 38.3 tt0 -70.15 -33.36 71.69 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.398 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 54' ' ' LEU 0.279 3.8 pp -70.81 -30.06 66.4 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 118.662 -1.215 . . . . 0.0 109.709 174.172 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.6 m -61.53 -35.27 77.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.703 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 56' ' ' GLU . 8.5 p -71.79 -39.54 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 118.297 -1.361 . . . . 0.0 110.256 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.791 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 16.5 p -62.14 -29.22 70.19 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.89 1.328 . . . . 0.0 110.798 175.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HB3' ' O ' ' A' ' 58' ' ' THR . 21.1 tt0 -66.03 -39.39 90.15 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 112.569 -2.105 . . . . 0.0 108.193 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.01 85.19 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.936 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.8 m-85 -61.95 -41.71 98.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.31 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 8.0 mm -57.61 -49.52 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.483 175.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.73 -40.98 92.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.994 -174.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.73 96.66 Favored Glycine 0 C--O 1.243 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 50.8 m -69.59 -31.48 69.66 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 115.131 -0.535 . . . . 0.0 110.258 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 50.5 mtm180 -67.55 -38.13 83.7 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.465 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -66.37 -28.49 73.75 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 174.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . 63.3 t80 -64.65 -46.2 83.51 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -64.67 -39.18 93.22 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.435 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -55.29 -41.07 71.81 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.265 0.353 . . . . 0.0 110.467 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.4 mpt_? -68.32 -37.01 80.14 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 177.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.88 -30.63 71.7 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.261 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.53 -16.47 63.44 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.169 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.77 -6.66 23.38 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.361 0.601 . . . . 0.0 109.715 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' NE ' ' HB2' ' A' ' 79' ' ' ASP . 76.8 ttt180 -65.1 -32.56 74.32 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.094 0.957 . . . . 0.0 111.785 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.4 m 79.03 -26.17 0.18 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.088 0.955 . . . . 0.0 110.655 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HB2' ' NE ' ' A' ' 77' ' ' ARG . 12.9 m-20 -82.58 59.02 4.47 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.177 0.513 . . . . 0.0 110.121 175.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -156.77 150.74 24.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -128.22 -167.94 1.83 Allowed 'General case' 0 C--N 1.264 -3.127 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.77 -31.27 68.21 Favored 'General case' 0 C--O 1.195 -1.766 0 CA-C-N 118.783 0.72 . . . . 0.0 111.404 -176.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.75 -49.76 67.26 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 121.586 0.708 . . . . 0.0 112.223 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -71.79 -39.36 69.95 Favored 'General case' 0 N--CA 1.415 -2.213 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.305 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . 4.2 tmmm? -63.74 -36.67 84.63 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.565 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -65.28 -33.7 76.6 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.19 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -75.38 -34.04 61.07 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 124.02 0.928 . . . . 0.0 110.897 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 85' ' ' LYS . 8.9 m-85 -71.7 -39.01 70.48 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -65.45 -33.47 76.01 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.59 65.99 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 119.607 -0.837 . . . . 0.0 110.214 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.34 -42.46 88.1 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.085 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.47 -40.69 87.75 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 122.6 0.36 . . . . 0.0 110.999 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.43 -28.19 63.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.197 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.4 m -70.18 -49.65 48.21 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.44 -42.88 88.71 Favored Glycine 0 N--CA 1.422 -2.234 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.155 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.26 -41.12 94.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.917 0.358 . . . . 0.0 111.906 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.44 -43.93 76.02 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.805 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.48 -26.91 63.83 Favored 'General case' 0 C--O 1.194 -1.841 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.053 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.93 -41.3 97.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -70.38 -31.69 69.04 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 114.164 -1.38 . . . . 0.0 109.935 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.26 -33.52 63.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.447 0.641 . . . . 0.0 110.087 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 105' ' ' LEU . 6.0 tt -60.4 -49.54 77.16 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.456 1.502 . . . . 0.0 109.505 176.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 59.5 mtpt -69.39 -28.25 66.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.35 69.49 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.075 0.464 . . . . 0.0 110.521 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.25 -34.31 72.68 Favored 'General case' 0 C--O 1.191 -1.981 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 57' ' ' LEU . 30.7 tt0 -58.99 -44.59 91.64 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.179 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.7 mmtt -66.93 -34.31 77.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -67.5 -46.06 74.0 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 105' ' ' LEU . 49.1 t -71.62 -38.64 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.074 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -59.17 -44.59 92.15 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.964 0.888 . . . . 0.0 109.573 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.72 -43.87 65.14 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 114.011 -1.45 . . . . 0.0 109.276 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 t 75.3 -26.25 0.19 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.765 1.626 . . . . 0.0 114.578 169.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 119.365 -0.35 . . . . 0.0 110.98 -178.847 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 t30 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -63.03 -49.75 73.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -58.79 -43.48 90.47 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.502 0.668 . . . . 0.0 111.393 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -51.46 67.25 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.099 -176.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -67.81 -34.65 77.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.198 0.523 . . . . 0.0 110.956 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -61.84 -30.79 71.08 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.381 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -104.24 -6.32 21.05 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 118.79 -1.164 . . . . 0.0 112.637 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 30.4 t-80 -61.84 -38.33 87.82 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -62.44 -29.97 70.9 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.896 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.6 mm -80.52 -34.46 14.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 44.9 tt0 -60.7 -46.66 89.52 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 121.698 0.761 . . . . 0.0 109.656 175.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 8.4 ptmm? -67.03 -35.46 79.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.134 174.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 34' ' ' ILE . 39.8 t80 -58.85 -42.45 89.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' A' ' 28' ' ' GLU . 6.5 tt -58.09 -47.19 83.96 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 124.452 1.101 . . . . 0.0 109.918 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 4.2 pp -66.77 -34.78 78.59 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.428 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -60.26 -36.16 77.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.14 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 38' ' ' VAL . 72.1 mt -65.14 -45.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -60.54 -45.28 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-O 121.042 0.449 . . . . 0.0 110.066 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -63.96 -31.83 73.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.149 0.5 . . . . 0.0 111.394 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.42 -32.19 69.69 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.725 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' ILE . 94.8 t -63.12 -42.54 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.07 -34.54 78.31 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.455 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.33 -47.69 59.9 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.116 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 50' ' ' LYS . 4.5 pp -66.95 -33.86 76.5 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.083 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.8 tm-20 -59.79 -42.97 94.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.643 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -12.34 52.67 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 122.166 0.984 . . . . 0.0 110.932 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 20.7 m -91.55 -47.3 7.49 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.099 -1.41 . . . . 0.0 113.575 -175.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.61 -28.63 0.18 Allowed Glycine 0 C--O 1.218 -0.876 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.716 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 58.56 26.91 14.95 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 125.744 1.617 . . . . 0.0 111.941 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -56.18 -50.69 70.5 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.061 -1.427 . . . . 0.0 113.903 -172.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -152.56 -15.45 0.17 Allowed 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.913 0.863 . . . . 0.0 110.616 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -35.77 76.19 Favored 'General case' 0 C--O 1.186 -2.274 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.346 -173.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 21.6 tttm -62.7 -49.16 76.19 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.99 87.05 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.059 0.457 . . . . 0.0 110.642 176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -63.11 -44.34 95.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.194 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.43 -34.96 79.12 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.298 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 69.7 mt -65.39 -34.55 78.56 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.424 0.63 . . . . 0.0 109.541 175.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.6 mmt180 -70.36 -26.4 63.71 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.393 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.13 -32.57 67.06 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.166 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 3.2 pp -72.45 -30.94 65.03 Favored 'General case' 0 C--O 1.206 -1.226 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.627 174.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.7 m -66.78 -35.49 80.2 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.607 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ARG . 87.1 t -60.5 -38.83 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 171.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.855 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.5 m -64.65 -42.97 95.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.537 177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' LEU . 42.6 mt-10 -59.13 -38.03 78.65 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.12 174.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.82 82.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.742 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.855 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.323 6.9 p90 -73.01 -31.07 64.24 Favored 'General case' 0 CA--C 1.508 -0.646 0 C-N-CA 118.147 -1.421 . . . . 0.0 111.986 177.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 18.7 mm -58.48 -50.24 79.49 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.188 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.11 -44.86 94.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.911 0.484 . . . . 0.0 111.7 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.43 95.72 Favored Glycine 0 C--O 1.24 0.471 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.649 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 m -70.77 -31.62 68.47 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.554 0.693 . . . . 0.0 109.184 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 58.8 ttt180 -66.59 -46.37 76.18 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.453 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -68.72 -23.38 75.59 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -71.28 -46.63 60.42 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 26.9 m-85 -65.47 -39.95 92.56 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.78 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 6.5 tp-100 -54.34 -43.28 71.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.879 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 3.2 mpt_? -65.32 -37.8 88.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 32.9 mt-10 -64.4 -36.19 83.36 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 176.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.66 -20.74 66.41 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.167 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 74.6 mmtt -82.52 -17.2 45.89 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 10.5 mmm180 -65.92 -55.19 18.17 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m 73.11 -4.2 2.24 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.576 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.71 -22.4 66.97 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 122.059 0.933 . . . . 0.0 109.996 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' H ' ' CD1' ' A' ' 80' ' ' LEU . 4.8 mp -43.39 171.12 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 128.838 2.855 . . . . 0.0 113.908 172.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.48 170.44 14.21 Favored 'General case' 1 C--N 1.236 -4.35 0 CA-C-N 110.11 -3.223 . . . . 0.0 104.489 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.62 -31.02 61.92 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.553 1.141 . . . . 0.0 110.679 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.29 -49.09 62.89 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.15 77.78 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.441 -177.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 71.4 t80 -64.3 -35.27 80.32 Favored 'General case' 0 C--O 1.2 -1.53 0 CA-C-O 120.867 0.365 . . . . 0.0 111.671 -178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -75.0 -32.62 61.7 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 123.512 0.725 . . . . 0.0 110.731 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.0 m-85 -73.76 -46.2 47.14 Favored 'General case' 0 CA--C 1.46 -2.49 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 12.4 pt-20 -67.51 -30.95 70.76 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.06 90.69 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.257 -0.977 . . . . 0.0 109.314 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . . . -71.49 -37.19 71.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.421 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 95.5 mt -63.14 -35.59 80.8 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.82 -39.2 73.18 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.171 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.1 m -71.79 -41.64 68.08 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-O 121.66 0.743 . . . . 0.0 109.111 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 -41.14 96.16 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.394 -1.275 . . . . 0.0 112.189 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 25.6 t70 -64.21 -42.61 96.54 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 88.4 mt -64.39 -47.4 79.37 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.352 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.3 pp -71.51 -27.94 63.56 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.34 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.99 -45.46 77.52 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 11.1 ptmm? -66.65 -32.8 74.35 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.52 177.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -75.38 -30.89 60.31 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 119.335 -0.946 . . . . 0.0 112.454 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 94.3 mt -60.11 -50.54 73.3 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 123.16 0.584 . . . . 0.0 109.859 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 16.5 ptmt -71.64 -27.41 63.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.403 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.16 71.04 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 121.224 0.535 . . . . 0.0 110.148 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -70.04 -34.33 73.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.493 ' NE2' HD11 ' A' ' 57' ' ' LEU . 35.5 tt0 -60.08 -37.69 80.69 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.258 176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.1 mmtt -65.18 -35.06 79.89 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.4 -46.82 68.95 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 121.358 0.599 . . . . 0.0 110.046 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.462 HG11 HD21 ' A' ' 54' ' ' LEU . 60.8 t -65.02 -39.29 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.21 -43.25 99.26 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.992 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.09 -35.63 81.36 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.216 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 t -56.89 -31.49 64.92 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.539 0.735 . . . . 0.0 111.566 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 C--O 1.244 0.805 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.785 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -63.82 -41.18 97.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.972 0.415 . . . . 0.0 111.741 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.96 -46.47 68.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.15 0.5 . . . . 0.0 111.081 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 p -65.1 -36.8 85.45 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -68.72 -34.75 76.16 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 71' ' ' PHE . 18.0 tpp180 -63.93 -32.41 73.93 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.731 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 91' ' ' ALA . 21.4 m-85 -113.23 36.28 3.61 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.66 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -77.57 -38.34 48.6 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.777 0.798 . . . . 0.0 109.679 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.88 -34.54 73.69 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.906 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.87 -40.79 86.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -60.28 -43.14 96.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.751 176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.42 -44.57 96.1 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.63 -48.3 82.4 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 123.052 0.22 . . . . 0.0 111.453 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.7 -45.22 89.99 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 123.052 0.22 . . . . 0.0 110.467 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.85 -35.66 74.9 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.294 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 43.9 t-80 -60.5 -50.75 72.31 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 57' ' ' LEU . 96.5 mt -63.79 -45.39 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.741 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 20.9 m -63.32 -42.41 99.0 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-O 121.522 0.677 . . . . 0.0 110.065 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.567 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . 13.7 t60 -70.62 -31.56 68.58 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.483 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 42.4 mm-40 -65.92 -31.58 72.6 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.564 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 34' ' ' ILE . 63.4 t -60.34 -40.61 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 36' ' ' HIS . 53.1 m-20 -61.47 -41.77 97.75 Favored 'General case' 0 C--O 1.259 1.577 0 CA-C-O 122.176 0.988 . . . . 0.0 109.762 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.32 -47.64 67.01 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.237 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 4.2 pp -68.95 -33.83 74.36 Favored 'General case' 0 N--CA 1.424 -1.764 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.098 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.56 -33.87 76.93 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -11.82 49.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.154 0.978 . . . . 0.0 110.562 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' HA ' ' A' ' 41' ' ' LEU . 6.3 m -93.06 -47.27 7.06 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.523 -174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.67 -27.07 2.86 Favored Glycine 0 C--N 1.308 -0.978 0 C-N-CA 120.772 -0.727 . . . . 0.0 111.37 -178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.2 p30 56.4 37.38 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.018 1.727 . . . . 0.0 113.302 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -56.08 -24.27 39.0 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' H ' ' H ' ' A' ' 49' ' ' GLU . 35.7 t70 -156.4 -21.13 0.1 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.614 0.721 . . . . 0.0 110.581 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' A' ' 48' ' ' ASP . 26.6 mm-40 -61.4 -37.43 83.42 Favored 'General case' 0 C--O 1.193 -1.883 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.027 -173.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 28.9 ttpp -68.36 -50.67 51.5 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 119.369 -0.932 . . . . 0.0 112.764 -175.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.17 81.0 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.762 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 75.7 ttt180 -67.29 -40.11 86.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 34' ' ' ILE . 41.4 tp -65.02 -35.63 81.81 Favored 'General case' 0 N--CA 1.424 -1.727 0 C-N-CA 123.131 0.572 . . . . 0.0 110.975 175.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 89.9 mt -63.13 -32.64 74.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.819 0.818 . . . . 0.0 109.843 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 59' ' ' VAL . 43.7 ttm180 -68.41 -35.06 77.1 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.669 176.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.6 -40.07 95.75 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.514 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' A' ' 34' ' ' ILE . 3.5 pp -71.0 -31.78 68.4 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.668 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.7 m -62.43 -42.41 99.43 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.997 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 55' ' ' ARG . 57.6 t -66.57 -41.72 88.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.822 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 24.4 m -60.48 -40.26 90.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.029 0.919 . . . . 0.0 110.979 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HG3' ' HE3' ' A' ' 103' ' ' LYS . 2.0 tm-20 -66.1 -32.1 73.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.53 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.43 70.64 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.497 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.822 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.367 6.3 p90 -76.52 -30.7 57.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 118.63 -1.228 . . . . 0.0 112.807 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -66.63 -34.76 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.74 -38.67 89.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.306 0.574 . . . . 0.0 109.459 175.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.31 90.2 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.95 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -70.44 -32.0 69.4 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.492 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -67.03 -43.27 83.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 121.077 0.465 . . . . 0.0 109.904 175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -64.95 -23.98 69.79 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.29 -48.21 57.69 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 56.8 m-85 -65.45 -39.36 91.94 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.209 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.0 -42.0 79.48 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.853 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.66 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 10.6 mpt_? -65.8 -39.01 90.5 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.673 175.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -61.99 -33.56 74.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.817 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.39 -19.67 65.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.925 0.393 . . . . 0.0 111.329 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -108.14 -5.84 16.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.28 0.562 . . . . 0.0 110.495 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -67.93 -24.41 65.19 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.389 -173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.5 m 77.46 -31.23 0.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.36 1.064 . . . . 0.0 110.349 -172.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.59 68.06 3.61 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.402 0.62 . . . . 0.0 111.11 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 2.6 pt? -160.58 146.53 15.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 114.069 -1.423 . . . . 0.0 107.954 175.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -108.19 171.59 7.32 Favored 'General case' 0 C--N 1.251 -3.678 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 83' ' ' LEU . 4.3 pp -53.89 -30.23 45.1 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 118.398 0.545 . . . . 0.0 110.559 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 82' ' ' LEU 0.266 13.9 tp -61.28 -49.3 77.6 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.991 0.901 . . . . 0.0 111.705 177.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' A' ' 80' ' ' LEU . 40.0 mt-10 -71.24 -40.46 71.03 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.439 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.02 -37.89 75.16 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.421 -1.263 . . . . 0.0 108.64 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.51 -39.76 92.18 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.555 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.51 -35.04 63.18 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 123.633 0.773 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 7.9 m-85 -69.47 -44.96 70.12 Favored 'General case' 0 CA--C 1.477 -1.859 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.04 -32.18 72.37 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.47 79.8 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 118.995 -1.082 . . . . 0.0 109.479 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 24' ' ' PHE . . . -68.85 -43.87 74.56 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.024 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 93.1 mt -56.52 -41.64 77.07 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.127 0.171 . . . . 0.0 110.699 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' HD23 ' A' ' 97' ' ' LEU . . . -71.22 -33.3 69.76 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.1 m -69.06 -48.68 62.16 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -64.89 -45.41 92.57 Favored Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.4 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.04 -44.77 94.42 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 93' ' ' ALA . 1.5 pp -65.6 -46.54 78.98 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.039 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.2 -26.77 63.09 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.558 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 5.9 tt -68.81 -41.78 78.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -68.49 -32.85 73.13 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.291 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.4 -37.28 74.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.411 0.624 . . . . 0.0 110.168 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 105' ' ' LEU . 32.2 tp -60.65 -48.63 80.91 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 125.77 1.628 . . . . 0.0 109.237 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.47 ' HE3' ' HG3' ' A' ' 61' ' ' GLU . 30.3 mmtp -69.2 -33.37 73.25 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.4 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.99 -39.08 83.32 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-O 121.436 0.636 . . . . 0.0 109.518 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.3 -33.23 71.29 Favored 'General case' 0 C--O 1.181 -2.532 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 57' ' ' LEU . 28.3 tt0 -58.22 -47.69 82.7 Favored 'General case' 0 C--O 1.195 -1.813 0 CA-C-O 119.093 -0.479 . . . . 0.0 111.481 177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.04 -32.46 73.95 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.383 0.611 . . . . 0.0 110.772 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' LEU . 63.2 ttt180 -66.55 -50.02 64.54 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.487 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' SER . 66.2 t -70.74 -37.51 69.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 121.627 0.727 . . . . 0.0 111.727 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -55.88 -38.54 70.31 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.923 0.889 . . . . 0.0 109.312 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.54 -48.76 10.63 Favored 'General case' 0 N--CA 1.432 -1.346 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.103 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 109' ' ' VAL . 12.6 t 72.1 -30.44 0.21 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.404 1.882 . . . . 0.0 114.473 172.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.253 1.241 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -173.505 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.662 ' N ' ' HG1' ' A' ' 21' ' ' THR . 41.5 t30 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -70.12 -40.56 74.81 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.907 -0.496 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.68 74.87 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 120.785 0.326 . . . . 0.0 110.371 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.662 ' HG1' ' N ' ' A' ' 18' ' ' ASN . 2.5 m -66.74 -43.28 84.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -36.35 83.62 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.563 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.66 -31.0 71.4 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.802 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -85.95 -8.62 57.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.106 0.479 . . . . 0.0 111.318 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.98 -22.3 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 20.1 mm-40 -68.24 -31.7 71.37 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.881 0.848 . . . . 0.0 109.143 175.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 mm -80.52 -34.49 14.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.48 -44.77 92.95 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.468 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 62.8 pttt -66.34 -36.96 84.24 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.082 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' O ' HG13 ' A' ' 34' ' ' ILE . 5.8 m-85 -59.38 -43.46 92.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 121.26 -0.176 . . . . 0.0 111.398 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.91 -47.19 83.54 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 122.942 0.497 . . . . 0.0 110.596 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -69.78 -35.82 75.21 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.343 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.589 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 59.3 t60 -60.36 -47.02 87.85 Favored 'General case' 0 C--O 1.209 -1.043 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.478 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.1 mt -62.34 -46.21 96.95 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 123.178 0.299 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 m -60.7 -37.53 81.97 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 121.347 0.594 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -67.45 -38.47 84.54 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 18.6 mm-40 -63.91 -32.94 74.65 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 34' ' ' ILE . 42.0 t -64.67 -46.39 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.104 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.09 -39.0 92.56 Favored 'General case' 0 C--O 1.27 2.147 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.476 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 11.2 t70 -63.96 -47.29 80.99 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.212 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' GLU . 4.4 pp -67.54 -34.69 77.59 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 5.2 mm-40 -61.55 -27.56 68.71 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -102.24 -28.58 12.2 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 116.452 -2.099 . . . . 0.0 110.673 174.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -69.73 -35.7 75.22 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 123.999 0.92 . . . . 0.0 113.039 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.6 -56.57 0.18 Allowed Glycine 0 C--N 1.313 -0.709 0 C-N-CA 119.062 -1.542 . . . . 0.0 114.366 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' A' ' 50' ' ' LYS . 64.6 t30 74.9 29.08 1.04 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.894 1.278 . . . . 0.0 108.319 -176.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.85 -50.61 61.98 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.667 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -152.1 13.42 0.59 Allowed 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 123.257 1.503 . . . . 0.0 107.215 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -72.13 -35.64 69.16 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 111.767 -2.469 . . . . 0.0 110.725 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 5.6 tptm -63.59 -49.08 74.76 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.61 -42.81 86.28 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.73 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -59.78 -45.63 91.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.873 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 54.8 tp -70.07 -32.98 71.34 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-O 121.321 0.582 . . . . 0.0 111.648 -177.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 51.4 mt -67.53 -32.41 73.18 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.962 0.886 . . . . 0.0 110.155 175.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -67.76 -36.64 80.88 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 8.1 tp10 -62.54 -40.67 97.55 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.623 176.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 34' ' ' ILE . 2.4 pp -70.38 -30.1 66.92 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.515 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 m -62.06 -36.0 80.31 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.05 -38.42 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 63' ' ' PHE . 16.2 m -59.88 -42.51 93.92 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.603 0.716 . . . . 0.0 110.36 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 6.9 tp10 -59.17 -40.07 84.47 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.399 -1.273 . . . . 0.0 109.028 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.13 99.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.186 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.857 ' CZ ' ' HA ' ' A' ' 60' ' ' SER 0.378 7.1 p90 -75.16 -31.63 61.07 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.415 -1.314 . . . . 0.0 113.154 177.011 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -61.67 -42.34 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.218 171.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 54.8 mt-10 -55.34 -45.92 76.4 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.347 0.404 . . . . 0.0 110.469 174.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.14 96.48 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.612 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 -39.9 68.42 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -69.6 -44.05 71.52 Favored 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.663 ' O ' ' HD3' ' A' ' 73' ' ' ARG . . . -61.33 -28.59 69.59 Favored Glycine 0 N--CA 1.413 -2.846 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.373 177.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.487 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.3 t80 -67.86 -51.75 44.7 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 51.1 m-85 -61.32 -38.81 88.23 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.597 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.32 -34.68 75.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HD3' ' O ' ' A' ' 69' ' ' GLY . 4.3 mtp180 -69.15 -36.85 77.86 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.468 0.651 . . . . 0.0 109.444 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 13.6 mm-40 -65.66 -30.17 70.83 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.855 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.57 -15.35 63.2 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.224 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 21.1 ptmt -109.08 -5.57 15.95 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' HG3' ' HA ' ' A' ' 74' ' ' GLU . 11.2 mtm180 -62.16 -18.81 62.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.7 m 73.33 -33.18 0.26 Allowed 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 124.446 1.098 . . . . 0.0 111.217 -175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 77' ' ' ARG . 18.7 t70 -55.15 -34.3 63.68 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 126.741 2.016 . . . . 0.0 112.914 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.634 ' HA ' ' OE1' ' A' ' 84' ' ' GLU . 2.6 pt? -72.02 156.98 38.63 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.753 1.264 . . . . 0.0 110.193 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' ' HG ' ' A' ' 82' ' ' LEU . 13.8 t70 -126.18 -173.7 2.92 Favored 'General case' 1 C--N 1.239 -4.201 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 174.4 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.427 ' HG ' ' OD1' ' A' ' 81' ' ' ASP . 3.3 pp -57.93 -29.16 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -60.98 -50.73 72.2 Favored 'General case' 0 CA--C 1.504 -0.824 0 O-C-N 123.519 0.512 . . . . 0.0 111.604 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.634 ' OE1' ' HA ' ' A' ' 80' ' ' LEU . 45.9 mt-10 -72.46 -41.33 66.2 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.74 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.38 -36.54 73.68 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.924 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.476 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . 87.1 t80 -64.71 -33.08 75.12 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-O 121.927 0.87 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -74.44 -38.02 63.12 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 124.989 1.316 . . . . 0.0 108.997 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 8.3 m-85 -72.65 -44.78 61.42 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.318 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 86' ' ' PHE . 13.3 pt-20 -65.91 -32.3 73.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.46 80.41 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 118.845 -1.142 . . . . 0.0 110.134 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.58 74.17 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.492 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 86.9 mt -59.63 -40.58 88.09 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 122.386 0.274 . . . . 0.0 110.391 178.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -70.71 -31.71 68.67 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.37 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -68.98 -45.46 70.56 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 99' ' ' LEU . . . -67.79 -39.64 89.87 Favored Glycine 0 N--CA 1.423 -2.232 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.662 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.12 -38.45 78.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 117.277 0.539 . . . . 0.0 110.925 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 77.2 mt -69.32 -43.38 73.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.955 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.97 -31.17 67.64 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.077 -1.049 . . . . 0.0 109.339 177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 2.1 tt -65.11 -39.83 93.67 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -32.02 66.49 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.14 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.5 -31.2 62.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 118.018 -1.473 . . . . 0.0 108.766 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 105' ' ' LEU . 3.1 tm? -59.86 -50.02 75.44 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.024 1.73 . . . . 0.0 108.869 177.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 34.2 mmtp -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.53 70.83 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -70.57 -35.38 73.03 Favored 'General case' 0 C--O 1.187 -2.234 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 29.7 tt0 -65.62 -37.06 85.51 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 123.327 0.392 . . . . 0.0 110.141 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 74.0 mmtt -66.62 -35.33 79.93 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 105' ' ' LEU . 77.0 mtm180 -67.91 -39.75 83.53 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 54' ' ' LEU . 71.8 t -65.66 -40.57 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.053 0.454 . . . . 0.0 110.948 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 106' ' ' GLN . 28.0 mm-40 -63.08 -40.6 98.14 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.24 -16.28 60.96 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.991 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.2 m -72.77 -25.38 61.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.331 0.586 . . . . 0.0 109.548 175.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.255 1.378 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.387 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -68.89 -24.22 64.29 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.429 0.633 . . . . 0.0 110.152 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 23' ' ' ARG . . . -66.23 -44.04 84.91 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.228 0.537 . . . . 0.0 110.437 174.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 p -71.77 -34.9 69.84 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.05 -38.14 78.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.094 0.958 . . . . 0.0 109.697 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 1.3 tpm_? -62.69 -48.25 80.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.471 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -97.75 12.3 34.27 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.143 -1.023 . . . . 0.0 112.451 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 37.1 t-80 -68.75 -33.29 73.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.075 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HD1' ' A' ' 30' ' ' PHE . 36.4 mt-10 -62.69 -42.33 99.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.783 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 2.6 mp -69.55 -34.07 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.596 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' HIS . 18.8 tt0 -58.65 -45.63 88.9 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.436 176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD3' ' CE1' ' A' ' 25' ' ' HIS . 19.4 mmmt -66.08 -38.81 89.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.288 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' A' ' 26' ' ' GLU . 17.3 m-85 -58.45 -48.31 81.16 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 175.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 27' ' ' ILE . 75.2 mt -61.71 -42.65 99.23 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 33' ' ' HIS . 4.4 pp -70.05 -38.45 75.81 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.961 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 32' ' ' LEU . 8.7 t-160 -63.67 -41.68 98.15 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.014 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 62.2 mt -65.12 -43.33 95.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 C-N-CA 123.03 0.532 . . . . 0.0 111.246 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -62.17 -41.7 98.57 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 121.504 0.669 . . . . 0.0 109.423 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -66.48 -37.95 86.22 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.571 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.4 tp10 -60.51 -45.02 95.35 Favored 'General case' 0 C--O 1.188 -2.135 0 C-N-CA 124.321 1.048 . . . . 0.0 108.975 178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 34' ' ' ILE . 87.7 t -58.64 -40.83 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 C-N-CA 124.172 0.989 . . . . 0.0 109.521 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 13.6 t70 -68.2 -38.27 81.79 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.034 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.44 -30.05 61.73 Favored 'General case' 0 C--O 1.192 -1.954 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.634 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 50.3 mt -68.32 -40.8 81.51 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 34.9 tt0 -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.344 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -87.74 -15.8 36.01 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.621 1.569 . . . . 0.0 110.717 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -113.0 -50.47 2.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.03 -65.44 0.05 OUTLIER Glycine 0 C--N 1.294 -1.801 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t30 72.32 18.47 4.62 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 122.651 1.215 . . . . 0.0 108.874 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 7.3 mtmp? -67.71 -49.8 60.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.446 -175.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.83 -23.47 0.94 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.423 -171.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.94 -36.11 78.48 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -62.2 -47.44 84.46 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -177.57 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.39 96.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.143 0.497 . . . . 0.0 110.748 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -68.24 -38.61 81.99 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.801 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD11 HG12 ' A' ' 34' ' ' ILE . 50.9 tp -64.02 -37.29 86.91 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.018 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 50' ' ' LYS . 20.6 mt -65.39 -33.41 75.9 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.504 0.669 . . . . 0.0 111.068 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.2 mtp180 -66.23 -36.23 82.47 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -64.73 -35.65 81.75 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.136 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HA ' ' OG ' ' A' ' 60' ' ' SER 0.321 2.8 pp -74.13 -30.81 62.48 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 119.12 -1.032 . . . . 0.0 111.199 174.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 11.3 m -62.53 -34.97 77.97 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-O 121.966 0.888 . . . . 0.0 109.314 175.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' ARG . 60.0 t -71.16 -45.86 69.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.241 176.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.801 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 2.6 p -62.7 -29.68 70.84 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-O 122.697 1.237 . . . . 0.0 111.364 176.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' THR . 35.0 tt0 -65.15 -40.72 94.78 Favored 'General case' 0 C--N 1.28 -2.425 0 CA-C-N 112.702 -2.044 . . . . 0.0 108.184 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.13 71.08 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.956 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.801 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.4 m-85 -67.07 -42.94 83.85 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mm -58.63 -50.84 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 123.172 0.295 . . . . 0.0 110.542 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.63 -41.81 83.3 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.96 87.89 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.365 -0.445 . . . . 0.0 112.33 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 22.6 t -70.21 -32.3 70.13 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' A' ' 96' ' ' ASP . 14.7 mtp180 -69.04 -34.04 74.56 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.772 175.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . -66.41 -27.0 72.81 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 173.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' SER . 48.4 t80 -69.99 -46.38 65.28 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -62.89 -38.38 90.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.399 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 96.6 mt-30 -59.54 -38.76 81.9 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.0 mmm180 -69.47 -33.25 72.63 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.15 0.5 . . . . 0.0 110.073 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -67.72 -31.96 72.25 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.402 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.6 mt -71.12 -15.94 62.53 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.626 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 72' ' ' GLN . 31.1 mmmt -93.31 -6.55 47.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 0.0 110.56 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 79' ' ' ASP . 47.9 mtp180 -56.28 -40.28 74.01 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 m 74.11 -38.24 0.39 Allowed 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.386 1.074 . . . . 0.0 109.259 -171.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 77' ' ' ARG . 29.9 t70 -86.72 77.1 9.39 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.824 0.821 . . . . 0.0 109.675 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 2.5 pt? -151.15 157.91 43.31 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -130.11 -178.29 4.67 Favored 'General case' 0 C--N 1.264 -3.134 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -55.17 -31.04 61.05 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 118.566 0.621 . . . . 0.0 110.989 179.234 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.64 -48.47 79.37 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 123.938 0.895 . . . . 0.0 112.154 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 12.8 mm-40 -70.4 -45.07 66.67 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.992 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -56.13 -38.24 70.55 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.068 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -64.44 -36.73 85.11 Favored 'General case' 0 C--O 1.187 -2.202 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -73.7 -35.42 65.13 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 122.798 0.439 . . . . 0.0 110.427 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.688 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 4.0 m-85 -75.52 -46.29 33.07 Favored 'General case' 0 CA--C 1.482 -1.641 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.86 -31.67 72.44 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.44 -40.88 73.5 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.567 -1.253 . . . . 0.0 110.371 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.56 69.64 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.478 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 78.8 mt -58.88 -43.18 90.86 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 97' ' ' LEU . . . -68.17 -36.9 80.35 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.436 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.8 m -68.92 -46.43 68.31 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.07 -43.95 96.52 Favored Glycine 0 N--CA 1.412 -2.91 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.904 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.504 ' HB2' ' NH1' ' A' ' 68' ' ' ARG . 37.8 t70 -66.52 -37.55 85.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.129 0.464 . . . . 0.0 111.867 -176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 93' ' ' ALA . 70.5 mt -64.76 -49.47 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.7 -27.32 63.9 Favored 'General case' 0 C--O 1.191 -1.981 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.244 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.95 -41.98 77.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 97' ' ' LEU . 18.1 ptmt -71.27 -31.85 67.98 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 177.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.42 -33.09 69.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.308 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.499 HD21 HD13 ' A' ' 57' ' ' LEU . 6.9 tt -60.72 -50.31 74.0 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.331 1.452 . . . . 0.0 109.649 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -61.63 -39.54 91.69 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.42 78.54 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 -177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.5 -36.89 74.05 Favored 'General case' 0 C--O 1.172 -3.007 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.43 -44.63 95.57 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 123.232 0.613 . . . . 0.0 111.637 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.72 -33.65 76.1 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.366 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -69.1 -46.55 67.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.945 0.879 . . . . 0.0 109.444 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 50' ' ' LYS . 42.2 t -65.02 -39.85 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.729 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -64.85 -36.67 85.08 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.68 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.02 -30.78 70.96 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.058 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.8 m -59.28 -26.37 64.88 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.367 178.025 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -61.9 -49.34 76.6 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.046 0.451 . . . . 0.0 111.746 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -47.19 67.92 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.771 0.796 . . . . 0.0 111.611 -176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -72.41 -28.5 63.01 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.284 -175.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.88 -37.91 87.38 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.73 -29.07 64.13 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.075 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -100.95 21.49 13.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.857 0.837 . . . . 0.0 110.123 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -85.35 -18.77 32.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.296 0.57 . . . . 0.0 109.712 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.203 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.412 HG21 HD11 ' A' ' 64' ' ' ILE . 7.8 tp -72.13 -33.24 46.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.538 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -47.74 84.31 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.653 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.28 -35.86 81.47 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.331 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.8 t80 -65.11 -46.2 82.02 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.584 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 32' ' ' LEU . 3.8 pp -67.78 -35.85 79.42 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 31' ' ' LEU . 4.4 pp -70.26 -35.35 73.71 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 119.38 -0.928 . . . . 0.0 110.393 176.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 51.1 t-80 -62.17 -39.55 93.01 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.366 175.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 30' ' ' PHE . 55.9 mt -61.58 -40.72 87.56 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 C-N-CA 123.014 0.525 . . . . 0.0 110.374 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.4 m -63.25 -41.5 99.06 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.377 0.608 . . . . 0.0 109.535 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -69.69 -33.54 72.67 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.908 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 32.9 mm-40 -63.45 -32.35 73.76 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 175.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 89.0 t -64.0 -50.55 76.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -60.7 -42.86 98.04 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.095 0.95 . . . . 0.0 110.143 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' ' HB ' ' A' ' 44' ' ' THR . 39.1 t70 -63.42 -47.44 81.96 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.573 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 4.0 pp -66.94 -33.96 76.73 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 123.021 0.2 . . . . 0.0 110.764 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.14 -39.26 81.85 Favored 'General case' 0 N--CA 1.431 -1.377 0 O-C-N 123.702 0.626 . . . . 0.0 112.507 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -93.98 -23.61 17.98 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 115.861 -2.336 . . . . 0.0 111.04 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 2.9 m -84.55 -29.64 25.73 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.94 -56.74 0.18 Allowed Glycine 0 C--N 1.316 -0.558 0 C-N-CA 118.323 -1.894 . . . . 0.0 114.322 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 2.6 p-10 59.45 24.4 13.04 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 125.82 1.648 . . . . 0.0 112.01 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -56.38 -50.11 72.52 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.444 1.097 . . . . 0.0 112.057 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -138.2 -4.02 1.72 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 46' ' ' ASN . 16.8 mt-10 -63.04 -35.22 79.52 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 112.641 -2.072 . . . . 0.0 112.073 -170.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 12.5 tptm -62.25 -50.0 73.47 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.39 -41.6 84.73 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.279 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 49' ' ' GLU . 19.0 ttm180 -59.84 -44.27 94.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.195 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 44.3 tp -70.47 -34.19 72.11 Favored 'General case' 0 N--CA 1.41 -2.433 0 CA-C-O 121.242 0.544 . . . . 0.0 111.336 -177.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 61.5 mt -68.24 -33.44 74.41 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.079 175.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.2 tpt180 -69.71 -32.26 70.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' LEU . 7.4 tp10 -62.11 -38.88 90.59 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.125 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 4.3 pp -72.98 -33.13 65.63 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.755 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 61' ' ' GLU . 25.5 m -62.33 -37.01 83.97 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 121.766 0.793 . . . . 0.0 109.896 175.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' ARG . 67.6 t -70.97 -43.45 76.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.074 0.464 . . . . 0.0 109.755 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.827 ' HA ' ' CE2' ' A' ' 63' ' ' PHE . 31.0 p -63.54 -29.6 70.84 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.98 1.371 . . . . 0.0 110.984 177.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 58' ' ' THR . 32.4 tt0 -67.24 -38.05 84.54 Favored 'General case' 0 C--N 1.278 -2.534 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.719 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.91 -31.83 72.69 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.282 177.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.827 ' CE2' ' HA ' ' A' ' 60' ' ' SER . 1.3 m-85 -65.74 -37.53 86.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 175.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 27' ' ' ILE . 14.4 mm -61.92 -43.42 97.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.731 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.52 -38.11 86.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.992 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.72 -40.37 85.47 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.123 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 70' ' ' TYR . 12.6 p -73.61 -36.62 65.51 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.376 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -69.48 -33.81 73.43 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.501 176.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.48 73.51 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' SER . 40.8 t80 -67.67 -48.92 65.26 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 88' ' ' PHE . 43.1 m-85 -60.65 -39.15 87.28 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.313 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -57.32 -49.13 77.09 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.303 0.0 OUTLIER -71.82 -31.95 67.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 117.577 -1.649 . . . . 0.0 111.875 177.087 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 tp10 -67.0 -29.29 69.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.292 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.76 -18.61 65.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.336 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -91.99 -6.85 50.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 122.857 0.463 . . . . 0.0 112.115 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.3 mmt180 -64.38 -30.74 71.77 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m 73.35 -17.95 0.4 Allowed 'General case' 0 CA--C 1.577 2.01 0 C-N-CA 124.325 1.05 . . . . 0.0 111.549 -172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 77' ' ' ARG . 10.8 m-20 -60.17 -41.8 93.6 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.914 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD13 ' HE2' ' A' ' 88' ' ' PHE . 2.4 pt? -60.52 152.0 27.07 Favored 'General case' 0 CA--C 1.483 -1.603 0 CA-C-O 123.098 1.428 . . . . 0.0 109.113 175.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -109.44 176.2 5.17 Favored 'General case' 1 C--N 1.215 -5.282 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.5 -30.77 63.38 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.56 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.309 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.6 mm-40 -73.09 -32.3 64.91 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 121.361 0.6 . . . . 0.0 111.373 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' HB2' HD12 ' A' ' 80' ' ' LEU . 37.9 ttmt -58.04 -37.03 73.6 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -67.6 -32.42 73.13 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.407 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -73.33 -42.0 62.82 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 125.932 1.693 . . . . 0.0 108.218 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 5.1 m-85 -73.51 -36.33 65.73 Favored 'General case' 0 CA--C 1.476 -1.903 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.78 -37.92 89.16 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.55 67.38 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.137 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.41 88.46 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.716 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 88' ' ' PHE . 94.7 mt -60.81 -40.04 91.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.48 -26.9 61.98 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 123.668 0.605 . . . . 0.0 110.709 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 m -72.64 -49.63 30.51 Favored 'General case' 0 N--CA 1.421 -1.88 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.92 -41.1 95.59 Favored Glycine 0 C--O 1.204 -1.741 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.93 -46.21 79.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.726 0.298 . . . . 0.0 111.063 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.19 -39.89 78.39 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.98 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 3.6 pp -71.63 -27.58 63.19 Favored 'General case' 0 C--O 1.203 -1.365 0 C-N-CA 119.711 -0.796 . . . . 0.0 110.668 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.35 -40.44 93.62 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -66.35 -33.11 74.99 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.433 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.34 -34.9 65.88 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.338 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 95.0 mt -58.48 -50.05 75.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 123.263 0.625 . . . . 0.0 109.614 175.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -65.96 -30.61 71.2 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.304 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.15 -44.75 64.91 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -69.82 -33.98 73.05 Favored 'General case' 0 C--O 1.2 -1.511 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -42.62 95.54 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.925 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -35.77 81.07 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -68.89 -45.97 69.59 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 122.848 0.459 . . . . 0.0 109.85 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 105' ' ' LEU . 57.7 t -67.39 -39.65 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-O 121.283 0.563 . . . . 0.0 109.911 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.8 -33.25 73.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.182 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.93 -31.78 61.61 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.701 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 m -64.05 -26.02 68.37 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.651 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.322 179.777 . . . . . . . . 0 0 . 1 stop_ save_