data_2k5h_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 2k5h _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 ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.96 0.409 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mm -82.05 121.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.419 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.12 36.93 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.72 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -113.99 174.06 6.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.961 0.41 . . . . 0.0 111.32 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.0 145.66 30.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.417 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 165.74 24.61 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.47 143.66 24.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 120.839 0.352 . . . . 0.0 110.238 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.09 120.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.662 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 2.3 mmt -103.05 -29.13 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -128.22 140.22 52.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.43 130.81 40.77 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.615 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 ' HA3' ' A' ' 57' ' ' GLY . 75.5 mt -105.02 130.76 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.554 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 53.6 p -127.9 165.05 32.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 43.2 Cg_endo -77.28 -14.2 16.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.252 1.968 . . . . 0.0 111.66 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.12 -33.76 14.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -143.41 124.82 14.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.979 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.82 ' HG ' ' HD2' ' A' ' 89' ' ' LYS . 6.7 m -65.02 152.57 43.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.368 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -106.65 -162.58 22.35 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.8 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 85.9 mt -122.57 123.03 40.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.96 148.16 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.18 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -101.59 101.83 12.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.02 0.438 . . . . 0.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.18 116.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.397 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 65.57 -84.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.942 0.776 . . . . 0.0 109.678 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.78 5.2 1.5 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.017 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 24.6 mm-40 -106.76 142.47 36.34 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 -176.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -92.56 115.13 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.476 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 95.2 m95 -114.97 151.41 34.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.71 131.74 40.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.0 140.08 47.58 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.73 159.74 23.12 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -157.62 168.05 28.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.47 -11.43 66.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.866 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.62 167.87 11.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.42 119.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 94' ' ' LYS . 46.2 mt -110.44 132.82 53.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.328 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -95.27 174.88 6.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.95 0.405 . . . . 0.0 110.127 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.46 141.21 15.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.85 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.55 66.12 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.166 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 69.6 mm-40 -76.67 167.21 22.24 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.386 0.613 . . . . 0.0 111.685 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.97 128.07 55.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.235 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 94' ' ' LYS . 31.6 m -124.47 157.08 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -107.17 127.44 53.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.841 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 92' ' ' VAL . 31.6 t -82.27 110.0 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.1 -41.91 12.02 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.44 177.88 10.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.56 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 87' ' ' GLY . 21.6 mt -120.16 122.4 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.34 5.91 49.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 0.0 111.066 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.471 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 142.08 -107.41 0.49 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.542 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.01 1.03 10.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 109.644 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.82 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 48.0 mtmt -120.73 158.63 27.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.821 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.24 147.97 28.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.171 0.51 . . . . 0.0 110.401 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.26 107.58 20.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.043 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.8 m -125.63 153.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.94 155.03 50.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 74' ' ' LEU . 15.8 ttpp -83.79 141.33 31.47 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 -170.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.456 172.142 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.757 0.313 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.17 120.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.949 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.72 68.28 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.207 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -111.68 158.7 18.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.969 0.385 . . . . 0.0 110.756 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -92.07 148.08 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.65 174.89 22.8 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.99 145.02 22.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.769 0.284 . . . . 0.0 110.525 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.22 121.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.595 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.2 mtp -101.18 -30.96 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 27.6 tt0 -131.33 140.99 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.327 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.25 123.61 13.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.458 0.647 . . . . 0.0 112.509 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 79.1 mt -92.83 124.9 45.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.78 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 19.2 p -105.99 165.82 12.37 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.278 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 38.2 Cg_endo -80.42 -6.2 13.62 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.161 1.907 . . . . 0.0 110.899 174.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -92.94 -55.68 3.26 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.861 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -119.4 -169.17 1.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -173.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -100.65 151.19 21.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.225 0.536 . . . . 0.0 111.072 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -111.16 179.03 19.82 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 173.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.407 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 86.9 mt -111.58 119.73 39.7 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.304 0.552 . . . . 0.0 111.103 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' THR . 29.0 m -114.52 160.38 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.118 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -123.94 121.28 34.89 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.0 t -123.44 119.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.705 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 67.67 -64.88 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.854 0.721 . . . . 0.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.43 -24.74 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.84 151.67 19.19 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.199 0.5 . . . . 0.0 110.304 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.2 t -100.63 127.79 46.9 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.795 0.807 . . . . 0.0 109.766 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -118.77 163.31 17.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.069 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -86.38 140.7 29.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.63 140.17 46.93 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.107 0.48 . . . . 0.0 111.943 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 p -124.5 144.44 50.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.076 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -151.22 -172.94 4.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.07 -1.57 33.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.018 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.39 166.23 19.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 61.9 t -87.67 99.1 8.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.076 0.465 . . . . 0.0 110.029 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -93.05 114.99 27.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.422 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -94.3 179.41 5.31 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -171.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.07 129.79 34.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.845 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.37 -8.56 38.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.39 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -84.92 175.89 8.81 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -126.75 143.96 51.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.583 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.4 m -124.08 158.99 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.459 -177.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.516 ' HB2' HD21 ' A' ' 95' ' ' LEU . 18.1 t -119.66 127.72 53.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.91 114.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.437 . . . . 0.0 111.185 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -81.21 -48.66 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.037 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.99 177.2 9.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.572 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -108.31 134.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.797 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.92 82.56 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.62 -113.44 4.23 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.042 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.44 -1.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.93 0.872 . . . . 0.0 109.319 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -109.05 162.53 14.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.311 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.4 mt -116.9 147.0 42.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.79 108.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 27.7 m -119.87 148.86 22.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.345 0.593 . . . . 0.0 112.36 -171.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -117.31 166.3 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -82.4 126.79 32.59 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 81' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.846 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 85' ' ' ILE . 97.3 mt . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 84' ' ' ALA . 48.1 mm -69.17 115.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.678 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -4.22 55.72 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.492 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -75.15 156.26 36.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.234 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.711 ' HZ2' ' HE2' ' A' ' 79' ' ' GLU . 30.5 mtpt -96.31 152.27 18.74 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.25 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.18 170.5 27.3 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.6 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -122.84 144.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 59' ' ' VAL . 51.8 t -84.69 112.98 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.909 0.385 . . . . 0.0 111.094 -177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.4 mmm -96.19 -34.14 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.472 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -122.98 132.99 54.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.08 134.23 56.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.643 0.589 . . . . 0.0 112.3 -171.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.529 HG12 ' HA3' ' A' ' 57' ' ' GLY . 70.4 mt -111.49 138.27 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.927 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 54' ' ' GLN . 8.8 p -126.5 165.85 25.57 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.78 1.98 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.789 2.326 . . . . 0.0 112.775 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 52' ' ' SER . 36.0 tt0 -130.86 -51.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -99.21 132.08 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.324 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 m -74.33 164.87 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.529 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -135.15 -162.38 9.72 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.041 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 67' ' ' ARG . 95.6 mt -130.05 131.36 45.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.684 0.278 . . . . 0.0 110.56 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 47' ' ' VAL . 34.7 m -125.63 154.84 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.832 176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 28.5 ttpp -106.01 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.75 122.73 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.078 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.27 -78.36 0.05 OUTLIER 'General case' 0 C--O 1.234 0.279 0 O-C-N 124.026 0.829 . . . . 0.0 111.23 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.8 -3.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.067 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.01 154.67 45.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 117.041 0.42 . . . . 0.0 110.86 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 10.5 t -97.85 135.22 39.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.09 0.471 . . . . 0.0 109.833 174.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -128.24 164.68 22.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.916 -176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.512 ' HA ' HD21 ' A' ' 58' ' ' LEU . 4.0 mpt_? -78.08 138.38 38.73 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' A' ' 59' ' ' VAL . . . -131.82 144.11 50.68 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.698 -174.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 149.28 48.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.005 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 m -155.85 148.25 23.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.016 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.28 7.92 76.4 Favored Glycine 0 CA--C 1.516 0.134 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.716 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 73' ' ' VAL . 1.4 m -131.38 169.14 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 72' ' ' THR . 6.8 p -87.35 126.1 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.793 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 94' ' ' LYS . 66.2 mt -125.88 117.74 23.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.785 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -88.93 177.03 6.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.168 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.42 128.94 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.32 -10.6 39.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.257 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.84 171.68 8.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.284 0.564 . . . . 0.0 111.653 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.711 ' HE2' ' HZ2' ' A' ' 44' ' ' LYS . 23.3 mt-10 -120.6 133.95 55.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.3 m -122.71 156.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.908 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.444 ' HB2' HD21 ' A' ' 95' ' ' LEU . 32.6 t -115.75 130.28 56.79 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.561 ' HA ' HG12 ' A' ' 92' ' ' VAL . 45.9 t -69.5 104.86 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.263 0.554 . . . . 0.0 110.113 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.593 ' HZ1' ' HE2' ' A' ' 93' ' ' GLU . 42.3 tttp -79.04 -42.26 26.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.955 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -162.68 171.91 16.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.683 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 40' ' ' LEU . 56.2 mt -117.71 132.16 68.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -132.68 102.62 5.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.977 0.418 . . . . 0.0 111.043 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.55 -115.64 7.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.835 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.1 10.78 9.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.775 0.798 . . . . 0.0 110.144 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mtmt -117.07 162.4 17.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.256 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.1 mt -110.14 144.91 38.08 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.051 0.453 . . . . 0.0 109.865 173.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.7 t -102.47 109.81 27.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 30.6 m -122.09 153.92 26.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.055 0.455 . . . . 0.0 111.389 -173.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.593 ' HE2' ' HZ1' ' A' ' 83' ' ' LYS . 8.4 pt-20 -119.19 162.66 18.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.712 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HB2' HD22 ' A' ' 74' ' ' LEU . 54.8 tttp -82.33 130.94 35.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.416 0.627 . . . . 0.0 110.712 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 81' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.122 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.699 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.1 mm -69.26 122.88 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.02 -1.82 71.1 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.928 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -95.32 165.81 12.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.928 0.394 . . . . 0.0 111.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -91.93 155.86 17.86 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.994 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.1 167.15 28.41 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.6 143.98 22.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 117.291 0.545 . . . . 0.0 110.489 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.34 113.17 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.428 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.3 mmm -91.22 -34.5 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.7 tp10 -132.06 146.77 52.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.38 135.75 57.75 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 111.237 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 ' HA3' ' A' ' 57' ' ' GLY . 65.9 mt -114.65 132.48 63.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -129.68 162.84 50.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.908 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.46 -42.54 64.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.496 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -84.39 -46.62 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -108.24 104.18 13.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.459 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.783 ' HG ' ' HE3' ' A' ' 89' ' ' LYS . 7.6 m -67.17 152.55 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -157.08 12.59 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.284 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.409 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 91.0 mt -124.85 133.27 53.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 m -129.1 150.46 34.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.963 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -110.08 118.21 35.81 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.89 110.01 29.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.71 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.894 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.43 -6.94 1.53 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.935 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.69 139.81 39.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.975 0.417 . . . . 0.0 110.57 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.3 m -97.95 123.19 41.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.1 165.8 16.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.743 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -90.34 152.15 21.15 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.0 140.91 25.9 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.835 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.578 ' HG1' ' HE2' ' A' ' 86' ' ' GLU . 1.5 m -119.76 164.5 15.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.252 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -166.1 170.4 13.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.01 -14.59 51.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.5 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.81 167.45 9.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.58 113.84 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 82.9 mt -102.04 131.42 48.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -99.87 170.99 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.418 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.33 131.84 32.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.94 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.54 -13.3 43.01 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.19 170.47 16.48 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.427 0.632 . . . . 0.0 111.666 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -117.64 141.87 47.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.554 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 22.7 m -124.28 160.4 28.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.012 0.434 . . . . 0.0 111.321 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -111.55 127.66 55.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.339 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -74.18 111.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 62.2 mmtt -84.97 -51.44 6.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.079 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.19 168.62 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.449 . . . . 0.0 111.405 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 87' ' ' GLY . 12.5 mm -109.54 125.94 66.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.578 ' HE2' ' HG1' ' A' ' 69' ' ' THR . 7.4 pt-20 -98.2 6.49 47.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.27 0.557 . . . . 0.0 110.678 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 122.13 -102.47 0.8 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.853 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 89' ' ' LYS . 11.6 p -80.23 -15.79 12.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.204 0.526 . . . . 0.0 111.26 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.783 ' HE3' ' HG ' ' A' ' 56' ' ' SER . 34.3 mtmm -124.63 178.19 5.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.057 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -120.54 150.38 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.706 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -102.58 109.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.2 m -125.15 159.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.178 0.514 . . . . 0.0 111.359 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.67 162.67 29.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.128 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -70.83 131.19 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.364 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--N 1.322 -0.622 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.412 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.492 HD12 HG13 ' A' ' 85' ' ' ILE . 50.2 mm -82.11 128.36 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.004 -174.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.64 5.74 66.48 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.581 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -109.09 167.56 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.212 0.529 . . . . 0.0 111.614 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.705 ' HE2' ' HG ' ' A' ' 95' ' ' LEU . 40.9 ttmt -91.2 143.88 26.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.304 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.0 172.74 19.58 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 p -124.17 142.93 39.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -87.32 111.15 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.75 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.651 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 26.9 mmt -91.57 -37.79 12.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 40.9 tt0 -120.43 133.21 55.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.086 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.43 33.7 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.884 0.74 . . . . 0.0 111.691 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 59.0 mt -109.04 137.46 40.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.941 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -135.97 165.22 37.45 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.698 0.285 . . . . 0.0 110.642 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.17 -10.47 27.39 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.949 2.432 . . . . 0.0 111.773 172.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -102.84 -51.26 3.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.096 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -122.62 135.66 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -74.04 157.32 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.005 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.94 -156.97 10.1 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 67' ' ' ARG . 93.5 mt -132.16 138.76 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.09 143.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.665 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.538 ' HB2' ' HG3' ' A' ' 48' ' ' MET . 34.6 tttp -108.76 122.38 47.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.962 0.41 . . . . 0.0 110.183 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.59 91.58 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.552 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 50.25 67.61 0.89 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.913 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.33 2.52 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.214 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.08 132.2 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -104.85 113.51 27.14 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.552 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -107.23 164.49 12.13 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.078 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.779 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . 64.9 mtt180 -82.14 160.53 23.09 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.676 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.17 140.76 22.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.996 0.427 . . . . 0.0 110.521 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.46 ' HG1' ' HD2' ' A' ' 89' ' ' LYS . 1.8 m -133.49 162.17 32.6 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 t -160.76 168.12 25.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.44 13.1 67.43 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 172.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.59 167.37 18.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.84 129.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD13 HG11 ' A' ' 80' ' ' VAL . 65.9 mt -121.75 125.57 46.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.182 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 171.77 9.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.765 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.19 125.6 34.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.364 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 0.33 54.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.308 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.0 164.56 26.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.333 0.587 . . . . 0.0 111.784 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.94 121.51 45.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.258 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 74' ' ' LEU . 27.3 m -123.97 152.44 29.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.856 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 m -100.98 128.31 47.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.408 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.609 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -85.63 115.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.979 0.418 . . . . 0.0 110.636 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.22 -53.63 5.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.266 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.91 170.4 19.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.334 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.492 HG13 HD12 ' A' ' 41' ' ' ILE . 49.9 mt -112.21 138.18 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE2' ' HE3' ' A' ' 89' ' ' LYS . 36.3 tt0 -134.99 82.86 1.98 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.73 -111.15 3.35 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.583 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.64 -2.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.475 0.655 . . . . 0.0 110.239 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.779 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 51.1 pttt -124.86 166.22 16.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.265 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.7 mt -120.01 150.1 41.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.473 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.7 107.54 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 82' ' ' VAL . 33.5 m -126.67 170.69 16.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.256 0.55 . . . . 0.0 112.199 -172.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.21 175.7 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.288 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.705 ' HG ' ' HE2' ' A' ' 44' ' ' LYS . 2.3 mm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.119 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.632 HG13 HD12 ' A' ' 85' ' ' ILE . 46.5 mm -89.29 133.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -176.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.52 3.15 61.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.508 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -100.1 173.35 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.637 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.614 ' HZ1' ' HE2' ' A' ' 79' ' ' GLU . 39.4 ttmt -84.84 143.94 28.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.43 165.85 23.09 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.28 144.82 27.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 t -85.92 116.88 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.248 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.414 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 79.8 mtp -94.7 -37.95 11.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.13 175.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.2 tp10 -120.72 135.67 55.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.02 123.41 15.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.765 0.666 . . . . 0.0 112.086 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG12 ' HA3' ' A' ' 57' ' ' GLY . 74.9 mt -91.81 123.62 44.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 22.8 p -124.7 165.08 27.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 62.9 Cg_endo -78.93 -5.51 14.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.052 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -108.02 -34.83 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.22 135.68 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m -70.36 154.79 41.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.291 -174.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.441 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -173.57 18.85 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.364 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 6.8 mp -125.36 128.64 48.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.696 0.284 . . . . 0.0 110.56 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG11 HG22 ' A' ' 80' ' ' VAL . 20.0 m -115.97 142.69 28.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 22.2 tttp -103.43 114.41 28.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.027 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.09 87.3 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.715 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.97 -70.37 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.937 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.51 -11.31 2.46 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.536 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.27 158.52 15.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 m -132.46 117.58 18.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -119.39 165.13 14.72 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.606 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -80.42 150.42 29.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.62 140.22 35.02 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.685 -174.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.49 HG22 ' HD2' ' A' ' 89' ' ' LYS . 20.2 p -129.5 139.3 51.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.605 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -152.1 165.9 33.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.81 -22.4 49.85 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.288 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 169.08 11.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.32 129.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 80' ' ' VAL . 46.7 mt -127.18 120.48 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.316 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.57 -179.98 5.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.627 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.21 138.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.354 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.67 -7.81 71.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.903 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -77.21 173.4 11.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.27 0.557 . . . . 0.0 111.687 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.614 ' HE2' ' HZ1' ' A' ' 44' ' ' LYS . 45.9 mt-10 -111.07 129.77 55.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.802 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 74' ' ' LEU . 35.8 m -117.94 146.01 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.341 0.591 . . . . 0.0 111.316 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -105.15 122.05 45.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.395 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.494 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.8 t -79.35 110.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.85 0.357 . . . . 0.0 110.189 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -83.21 -47.54 11.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.397 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -158.12 179.24 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.027 0.441 . . . . 0.0 111.774 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.632 HD12 HG13 ' A' ' 41' ' ' ILE . 37.2 mt -109.47 138.76 35.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.92 79.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.5 -117.26 6.55 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.72 0.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.892 0.853 . . . . 0.0 109.687 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.49 ' HD2' HG22 ' A' ' 69' ' ' THR . 28.3 mtmt -106.84 154.02 21.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.33 141.5 38.59 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -89.54 106.69 17.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.0 m -128.09 161.47 36.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 -172.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -149.42 169.51 20.69 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.215 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -68.24 140.79 56.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -175.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 121.109 0.481 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.68 132.11 32.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.956 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.71 68.05 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.713 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -99.21 164.13 12.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.75 0.309 . . . . 0.0 110.513 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.573 ' HZ3' ' HE2' ' A' ' 79' ' ' GLU . 36.8 ttpt -94.9 144.66 25.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.6 -172.89 12.7 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.17 144.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 120.756 0.312 . . . . 0.0 110.437 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.3 118.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.778 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 3.0 mmt -100.42 -34.24 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 0.0 110.174 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 7.9 tp10 -121.25 137.98 54.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.706 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.51 129.58 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.667 0.604 . . . . 0.0 111.312 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 80.2 mt -103.28 120.06 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.959 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 p -136.92 159.19 71.1 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.68 -29.71 84.13 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.869 2.379 . . . . 0.0 111.563 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -72.22 -51.74 19.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.548 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -133.97 130.02 37.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.988 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -70.32 154.65 41.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.137 0.494 . . . . 0.0 111.06 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.66 -164.08 21.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.752 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.419 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 81.6 mt -130.29 123.91 31.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.721 0.296 . . . . 0.0 110.58 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.99 140.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -109.01 105.64 15.25 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.324 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.3 t -116.56 107.09 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.0 t70 66.36 10.86 7.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.35 174.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.33 -21.93 9.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.13 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -87.16 144.63 26.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -114.17 122.81 47.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.93 0.395 . . . . 0.0 110.167 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -125.46 165.34 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.239 -178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -81.44 153.43 26.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.7 142.21 33.33 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.33 0.586 . . . . 0.0 112.441 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 p -134.27 157.98 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.591 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 t -162.94 160.89 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.5 -8.04 88.05 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 73' ' ' VAL . 2.2 m -116.21 169.71 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' H ' HG23 ' A' ' 72' ' ' THR . 7.5 p -95.83 132.06 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.599 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 53.2 mt -123.36 127.43 48.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.32 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.26 178.01 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.33 136.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.947 -174.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -7.96 67.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.299 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.76 169.64 17.91 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.336 0.589 . . . . 0.0 111.366 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.573 ' HE2' ' HZ3' ' A' ' 44' ' ' LYS . 18.1 mt-10 -114.18 135.03 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.847 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 18.9 m -125.65 153.22 33.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.016 0.436 . . . . 0.0 111.609 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.554 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 43.1 t -110.27 124.88 52.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.189 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.3 t -71.32 105.35 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -92.78 -45.32 8.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -173.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.86 -177.74 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.559 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.6 mt -128.26 143.0 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.466 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.573 ' HE2' ' HZ2' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -140.82 90.81 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.213 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.81 -119.55 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.27 7.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.622 . . . . 0.0 109.894 175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HZ2' ' HE2' ' A' ' 86' ' ' GLU . 30.1 mtmm -108.12 139.68 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.224 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.26 148.24 22.62 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.841 0.353 . . . . 0.0 110.28 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.26 108.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 23.1 m -116.43 153.9 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.082 0.468 . . . . 0.0 111.569 -172.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 81' ' ' SER . 7.4 pt-20 -117.34 162.93 17.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.868 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -77.43 124.19 27.56 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.758 -178.585 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.995 0.426 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -82.58 123.78 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.304 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.42 6.61 58.56 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.083 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -88.09 158.18 18.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.57 144.38 25.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.614 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.32 164.84 22.78 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 p -118.17 143.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 113.37 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.859 0.361 . . . . 0.0 110.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.747 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 6.6 mmt -96.66 -34.48 11.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.117 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -124.35 142.73 51.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.444 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.98 122.92 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.805 0.69 . . . . 0.0 111.907 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.0 mt -95.18 119.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.674 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 p -131.67 163.28 50.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 0.0 111.421 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.03 -6.64 16.5 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.159 2.572 . . . . 0.0 111.993 171.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.41 -56.2 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.386 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -131.74 138.31 48.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.908 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -66.47 146.71 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -99.88 -173.13 30.42 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.616 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -121.9 127.01 49.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.838 0.351 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.3 147.45 24.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.621 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -110.44 109.03 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.001 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.1 t -88.12 90.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.184 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 69.86 -67.82 0.22 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.728 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 11.8 1.91 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.112 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -124.99 144.49 50.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.11 0.455 . . . . 0.0 110.812 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.4 m -99.47 121.2 40.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.086 0.47 . . . . 0.0 110.715 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -129.57 164.76 23.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.974 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.525 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.4 mpt_? -84.94 170.73 12.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.26 139.99 19.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.875 0.369 . . . . 0.0 111.296 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -119.52 134.19 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.216 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 t -137.46 168.55 19.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 -18.21 42.09 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -115.61 160.64 19.74 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 122.444 0.298 . . . . 0.0 110.292 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.2 121.09 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.439 0.638 . . . . 0.0 110.393 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 66.2 mt -111.66 122.98 49.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -93.95 176.74 6.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.354 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.34 124.97 30.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.766 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.11 2.74 41.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.504 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.62 164.38 23.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.31 0.576 . . . . 0.0 111.922 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -112.44 123.24 49.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.864 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 32.0 m -119.87 147.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.775 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.9 m -100.11 126.09 46.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.894 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.583 ' HA ' HG12 ' A' ' 92' ' ' VAL . 38.3 t -81.13 112.7 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -85.14 -45.93 11.59 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.62 158.47 42.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 90' ' ' LEU . 65.2 mt -102.82 132.88 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -124.38 79.58 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.52 -115.97 5.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.904 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.39 7.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.336 0.589 . . . . 0.0 110.858 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 67' ' ' ARG . 10.5 ptpp? -126.23 154.97 42.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD23 HG12 ' A' ' 85' ' ' ILE . 56.6 mt -109.18 149.32 29.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.144 0.497 . . . . 0.0 111.438 -175.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 106.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 82' ' ' VAL . 34.9 m -126.78 160.04 35.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.981 -172.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.58 161.81 31.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.538 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.11 137.74 45.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.68 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 HD23 HG11 ' A' ' 61' ' ' VAL . 85.0 mt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.71 HD12 HG13 ' A' ' 85' ' ' ILE . 46.9 mm -76.21 124.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.126 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.47 0.06 59.61 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.93 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 43' ' ' ARG . 13.0 mmt180 -93.62 153.65 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HZ3' ' HE2' ' A' ' 79' ' ' GLU . 6.1 tmmm? -86.72 143.35 27.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.791 177.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 163.08 24.11 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.31 142.97 28.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-O 120.941 0.4 . . . . 0.0 110.283 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -87.07 110.55 20.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.688 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 17.6 mmt -93.46 -30.39 15.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.023 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.48 138.51 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 134.49 56.13 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.879 0.737 . . . . 0.0 111.865 -174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.496 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.1 mt -100.95 115.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.816 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.89 166.6 20.41 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.42 -34.33 54.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.845 2.364 . . . . 0.0 112.203 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.36 -44.22 13.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -123.15 126.34 46.84 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 110.602 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 151.99 42.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.315 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -103.6 178.95 25.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.556 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.22 125.58 48.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.016 0.436 . . . . 0.0 111.162 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.38 159.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.07 120.39 27.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG11 HD23 ' A' ' 40' ' ' LEU . 42.8 t -109.26 103.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.917 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 67.24 -74.96 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.93 0.768 . . . . 0.0 111.651 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.75 -1.47 2.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.831 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -111.13 138.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -98.91 120.63 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.318 0.58 . . . . 0.0 110.056 175.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -117.24 160.58 20.85 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.106 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' HD3' HG12 ' A' ' 88' ' ' VAL . 9.0 mpt_? -86.81 161.57 18.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.62 146.15 31.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.919 0.39 . . . . 0.0 111.829 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.614 ' HG1' ' HZ1' ' A' ' 89' ' ' LYS . 31.7 p -132.2 142.13 49.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.659 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 t -152.7 160.79 43.14 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.42 74.27 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.327 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.7 p -100.7 144.7 29.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.511 0.196 . . . . 0.0 110.978 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.8 131.24 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.037 0.446 . . . . 0.0 109.87 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.3 mt -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.182 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.13 164.89 14.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.171 0.51 . . . . 0.0 111.184 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.28 139.78 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.441 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -11.27 61.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.278 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -78.2 172.43 13.57 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.281 0.562 . . . . 0.0 111.721 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HE2' ' HZ3' ' A' ' 44' ' ' LYS . 35.8 mt-10 -122.21 138.92 54.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.335 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.2 m -130.64 156.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.104 0.478 . . . . 0.0 112.116 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -103.45 121.47 42.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.492 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.6 t -77.02 109.76 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.765 ' HZ1' ' HE2' ' A' ' 93' ' ' GLU . 20.9 tttp -97.74 -34.89 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.466 -174.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.482 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.85 156.63 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.525 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.71 HG13 HD12 ' A' ' 41' ' ' ILE . 63.8 mt -111.79 133.11 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.52 97.29 2.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 -123.14 5.94 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.611 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.4 HG12 ' HD3' ' A' ' 67' ' ' ARG . 7.3 t -105.69 2.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.686 0.755 . . . . 0.0 109.521 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.614 ' HZ1' ' HG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -123.61 151.23 43.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.324 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 85' ' ' ILE . 56.7 mt -99.57 150.32 22.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.555 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 52.1 t -95.9 107.34 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 172.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.2 m -120.07 160.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.32 0.581 . . . . 0.0 112.069 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.765 ' HE2' ' HZ1' ' A' ' 83' ' ' LYS . 30.1 mt-10 -119.87 159.26 24.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 173.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.29 140.13 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.425 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 mt . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.074 0.464 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.75 121.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.66 15.85 48.11 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.206 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 8.2 mmp_? -93.46 159.87 15.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.099 0.476 . . . . 0.0 110.607 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.709 ' HZ1' ' HE2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -86.77 143.39 27.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.442 176.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.62 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -140.99 171.91 23.92 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -125.45 143.0 40.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.656 0.265 . . . . 0.0 110.496 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.8 t -87.28 109.75 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.8 mtp -95.13 -36.02 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.964 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 11.0 tp10 -120.07 134.83 55.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.78 124.9 17.96 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.586 0.554 . . . . 0.0 111.954 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.544 HG12 ' HA3' ' A' ' 57' ' ' GLY . 66.8 mt -101.13 126.23 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.134 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 p -128.69 160.67 61.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.2 -32.09 86.2 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.756 2.304 . . . . 0.0 111.924 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -84.58 -58.83 2.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.215 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.67 129.75 55.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -173.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -67.53 158.3 32.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.475 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.544 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -118.98 -164.09 12.66 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.3 mt -127.12 128.63 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.958 0.408 . . . . 0.0 111.242 -176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.71 155.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -121.07 115.27 22.81 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.908 0.385 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.19 71.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 65.13 -76.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.457 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.53 -32.26 8.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.29 -174.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -117.43 141.79 47.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -99.45 122.56 42.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.326 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.41 156.47 27.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.17 141.02 32.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 92' ' ' VAL . . . -133.9 140.48 46.84 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.148 0.499 . . . . 0.0 111.965 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 p -114.7 144.42 43.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.871 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.457 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 48.2 m -145.01 158.51 43.79 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.208 0.317 . . . . 0.0 110.582 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 7.52 70.5 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.46 168.39 15.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.21 110.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.735 HD13 HG11 ' A' ' 80' ' ' VAL . 76.0 mt -101.6 125.63 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 110.856 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.58 161.07 21.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.853 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.22 131.85 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 1.0 61.55 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.297 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.821 ' HE2' ' HZ1' ' A' ' 94' ' ' LYS . 6.7 mm-40 -78.91 164.72 24.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.476 0.655 . . . . 0.0 111.701 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.709 ' HE2' ' HZ1' ' A' ' 44' ' ' LYS . 6.6 mm-40 -114.75 124.56 52.08 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.15 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.735 HG11 HD13 ' A' ' 74' ' ' LEU . 26.8 m -125.62 154.28 34.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.048 0.451 . . . . 0.0 111.894 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m -102.92 130.53 50.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.897 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.61 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -77.4 105.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -90.2 -33.01 16.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.266 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.27 179.23 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.8 mt -125.15 136.19 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -133.61 110.36 9.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.89 -114.67 4.28 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 88' ' ' VAL . 13.6 t -119.45 8.22 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.882 0.849 . . . . 0.0 108.913 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -110.25 153.48 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.393 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.22 148.1 23.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.288 0.566 . . . . 0.0 110.768 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.56 100.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.9 m -117.21 157.53 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -174.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -146.09 155.65 42.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.821 ' HZ1' ' HE2' ' A' ' 78' ' ' GLU . 40.4 tttp -66.56 142.97 57.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.165 -171.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.712 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 8.0 mp . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.839 169.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.091 0.472 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 HG13 ' A' ' 85' ' ' ILE . 50.0 mm -61.69 122.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.88 67.47 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.68 -0.771 . . . . 0.0 113.042 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -101.12 168.08 9.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -102.32 152.97 20.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.63 -170.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.35 172.24 27.8 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.21 143.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.3 t -83.99 108.42 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.458 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mmm -92.23 -35.5 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.361 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 58' ' ' LEU . 10.1 tp10 -122.76 137.35 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 134.72 56.83 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.553 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.666 HD13 HD12 ' A' ' 74' ' ' LEU . 65.2 mt -100.56 121.95 51.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.096 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 p -122.82 158.15 57.91 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.937 0.399 . . . . 0.0 111.06 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.69 -35.2 86.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.243 2.629 . . . . 0.0 112.814 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.14 -39.92 17.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.265 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -132.85 127.44 34.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 0.0 111.081 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.477 ' HG ' ' HD2' ' A' ' 89' ' ' LYS . 13.5 m -68.93 156.82 37.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.18 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.96 -165.11 21.42 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.068 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 96.1 mt -127.42 128.39 45.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.729 0.3 . . . . 0.0 110.371 -177.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 47' ' ' VAL . 35.1 m -126.46 146.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.267 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.16 124.08 46.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' A' ' 63' ' ' GLY . 46.3 t -131.08 117.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.419 -177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 74.98 -35.35 0.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.925 0.766 . . . . 0.0 112.096 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 61' ' ' VAL . . . 170.88 -27.89 0.11 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.121 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.93 155.38 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.432 . . . . 0.0 111.016 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -104.0 119.77 39.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.858 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -116.6 162.72 17.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 -175.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.76 133.85 35.72 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.29 141.22 51.77 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.36 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 161.34 35.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.781 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.0 p -166.42 -174.53 2.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.942 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.03 2.22 61.45 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.448 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 167.64 10.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.722 0.296 . . . . 0.0 110.617 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.06 102.64 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.666 HD12 HD13 ' A' ' 51' ' ' ILE . 85.6 mt -99.88 130.77 46.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.37 172.44 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.528 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.4 t -77.19 121.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.222 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.6 -20.86 8.18 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.7 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.11 165.62 23.77 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.239 0.542 . . . . 0.0 111.558 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -115.16 132.68 56.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.353 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.602 HG11 HD13 ' A' ' 74' ' ' LEU . 29.1 m -126.27 158.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -120.93 138.3 54.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.858 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 37.4 t -71.59 121.93 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.942 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.717 ' HZ1' ' HE2' ' A' ' 93' ' ' GLU . 32.1 tttp -95.69 -44.38 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.095 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.09 -178.3 7.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 41' ' ' ILE . 44.1 mt -128.47 132.89 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.823 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.35 94.76 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.9 -107.68 2.31 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.196 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.22 4.37 8.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 109.182 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 32.6 mtmm -105.95 152.82 22.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -103.27 144.79 30.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.69 111.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.3 m -122.41 157.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.33 -174.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.717 ' HE2' ' HZ1' ' A' ' 83' ' ' LYS . 40.6 mt-10 -125.15 153.26 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 80' ' ' VAL . 17.0 ttpp -77.51 132.35 38.34 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.717 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.551 ' HB2' HG11 ' A' ' 61' ' ' VAL . 1.1 pt? . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.796 0.331 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.2 mm -70.47 113.61 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 13.98 59.44 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.844 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -109.77 170.9 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 111.257 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.733 ' HZ1' ' HB3' ' A' ' 44' ' ' LYS . 10.5 mtpm? -87.91 147.84 24.89 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.499 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' A' ' 61' ' ' VAL . . . -142.46 135.8 6.82 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.112 174.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.2 143.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-O 120.914 0.388 . . . . 0.0 109.995 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -82.98 116.51 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.634 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 86.5 mtp -96.49 -32.29 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.268 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -129.69 141.0 50.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.682 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.35 124.15 17.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.821 0.701 . . . . 0.0 112.283 -173.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.549 HG12 ' HA3' ' A' ' 57' ' ' GLY . 73.1 mt -89.16 116.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.897 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 43.7 p -137.97 165.74 31.32 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.082 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 39.1 Cg_endo -81.09 4.35 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.66 2.24 . . . . 0.0 111.416 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -98.48 -41.02 7.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.585 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -149.47 127.95 12.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.691 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -59.68 147.85 36.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 110.415 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -96.24 175.72 32.28 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.883 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.6 mt -116.75 127.44 54.37 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.93 141.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.634 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 64.5 tttm -98.67 106.87 19.19 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 40' ' ' LEU . 27.8 t -116.0 124.38 72.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.768 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 66.13 -83.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.934 0.771 . . . . 0.0 110.214 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.65 2.49 1.07 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.235 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -112.04 152.6 28.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.993 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -99.9 114.2 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -108.01 163.97 12.68 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 4.2 mpt_? -91.21 143.48 26.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.41 152.26 46.93 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.245 0.545 . . . . 0.0 112.165 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -144.43 159.7 42.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.415 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 72' ' ' THR . 6.4 t -151.02 8.14 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.296 0.57 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.53 1.26 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.324 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 73' ' ' VAL . 2.0 m -105.87 171.53 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.52 ' H ' HG23 ' A' ' 72' ' ' THR . 7.9 p -85.87 134.19 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.498 . . . . 0.0 111.294 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.541 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -128.54 131.5 48.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.07 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.84 178.88 5.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.04 137.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.506 -175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.31 -6.13 63.3 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.161 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.801 ' HE2' ' HZ1' ' A' ' 94' ' ' LYS . 49.5 mm-40 -72.78 164.58 26.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.33 0.586 . . . . 0.0 112.094 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.83 123.21 45.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.698 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.82 160.98 34.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.954 0.407 . . . . 0.0 111.347 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.6 m -112.57 132.05 55.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.269 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.405 HG23 HG12 ' A' ' 92' ' ' VAL . 46.3 t -89.18 108.46 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.151 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -96.48 -37.65 10.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.72 170.64 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 111.275 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -125.83 131.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.67 ' HE2' ' HZ2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.18 94.55 4.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.29 -112.53 3.78 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.02 1.3 10.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.662 0.744 . . . . 0.0 109.753 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.67 ' HZ2' ' HE2' ' A' ' 86' ' ' GLU . 25.0 mtmm -108.8 153.18 23.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.734 -178.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -100.84 146.07 27.77 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.936 0.398 . . . . 0.0 110.397 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.55 100.49 10.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.405 HG12 HG23 ' A' ' 82' ' ' VAL . 34.2 m -112.6 156.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.465 -172.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.21 158.1 40.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.801 ' HZ1' ' HE2' ' A' ' 78' ' ' GLU . 60.4 tttp -73.02 143.06 47.67 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.47 HD22 ' HE2' ' A' ' 44' ' ' LYS . 4.6 mp . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.836 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.715 HD12 HG13 ' A' ' 85' ' ' ILE . 45.3 mm -74.51 129.92 36.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.044 -176.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.64 12.1 75.84 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.834 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -117.23 159.45 22.64 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.723 -0.281 . . . . 0.0 110.365 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -92.58 152.84 19.39 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.556 0.693 . . . . 0.0 111.504 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.37 -179.9 19.63 Favored Glycine 0 N--CA 1.436 -1.365 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.558 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.88 143.68 34.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.477 ' HA ' HG12 ' A' ' 59' ' ' VAL . 26.4 t -84.24 114.4 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.962 0.41 . . . . 0.0 110.26 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.6 mmm -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.7 142.16 49.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.954 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.37 135.06 45.55 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.578 0.549 . . . . 0.0 111.558 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.52 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.4 mt -109.49 129.91 63.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.191 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -123.13 160.95 47.51 Favored Pre-proline 0 N--CA 1.447 -0.598 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 70' ' ' SER . 27.6 Cg_exo -60.87 -19.4 61.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.052 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -99.45 -54.0 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -109.93 135.56 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.61 154.69 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.225 0.536 . . . . 0.0 111.136 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.52 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.13 -168.46 17.08 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.271 -1.131 . . . . 0.0 110.271 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.2 134.99 49.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.305 0.553 . . . . 0.0 110.758 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 47' ' ' VAL . 20.1 m -130.15 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.185 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -104.55 110.3 22.53 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.0 t -130.6 130.69 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.836 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.6 t70 72.03 -1.72 2.78 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.733 0.646 . . . . 0.0 110.9 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.44 -20.13 11.29 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.825 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -99.53 156.36 17.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.494 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 m -97.46 121.51 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -118.22 163.25 16.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.986 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -82.36 148.59 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.32 140.72 45.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.978 0.418 . . . . 0.0 111.514 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.6 p -126.17 135.38 51.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.484 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 27.2 m -138.93 160.57 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.396 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.94 -5.4 87.82 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.195 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.98 168.59 18.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.0 p -84.91 125.06 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.561 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -113.98 141.91 46.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.98 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.63 176.12 5.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.157 0.503 . . . . 0.0 110.981 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.92 138.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.883 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.18 -13.63 64.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.207 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.592 ' HE2' ' HZ1' ' A' ' 94' ' ' LYS . 67.9 mm-40 -71.94 166.56 21.9 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.448 0.642 . . . . 0.0 112.035 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.65 127.45 55.28 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.045 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.93 163.1 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.585 ' HG ' ' HG ' ' A' ' 95' ' ' LEU . 66.6 m -123.82 139.33 54.08 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.033 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.0 t -86.24 117.44 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 -176.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -102.48 -28.49 12.16 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.8 165.04 33.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.759 0.314 . . . . 0.0 111.484 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.715 HG13 HD12 ' A' ' 41' ' ' ILE . 63.8 mt -117.01 137.16 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.15 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' HE3' ' A' ' 89' ' ' LYS . 8.8 tp10 -128.09 45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.813 0.816 . . . . 0.0 109.21 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.434 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 87.25 -120.93 5.65 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.791 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.4 m -79.93 -6.67 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.345 0.593 . . . . 0.0 110.097 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HE3' ' HG3' ' A' ' 86' ' ' GLU . 36.7 mtmt -107.03 143.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.313 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.44 147.76 34.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.094 0.473 . . . . 0.0 110.257 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 51.7 t -94.31 101.49 12.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.8 m -125.42 159.08 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.176 -173.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -145.49 165.05 29.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.842 172.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.592 ' HZ1' ' HE2' ' A' ' 78' ' ' GLU . 60.5 tttp -72.23 135.9 46.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.241 0.543 . . . . 0.0 110.797 -177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.585 ' HG ' ' HG ' ' A' ' 81' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.059 175.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.57 HD12 HG12 ' A' ' 85' ' ' ILE . 49.9 mm -69.82 119.21 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.529 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.82 55.46 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.605 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.19 175.71 5.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.936 0.398 . . . . 0.0 110.514 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.683 ' HZ3' ' HE2' ' A' ' 79' ' ' GLU . 37.2 ttpt -99.07 146.71 25.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.614 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.05 172.7 21.32 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 p -122.52 143.77 34.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.692 0.282 . . . . 0.0 110.263 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' HA ' HG12 ' A' ' 59' ' ' VAL . 43.2 t -84.33 119.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.745 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 7.3 mmt -95.7 -33.76 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.018 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 29.1 tt0 -131.11 137.23 48.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.57 136.84 31.71 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.753 0.658 . . . . 0.0 112.063 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.564 HG12 ' HA3' ' A' ' 57' ' ' GLY . 61.9 mt -115.0 132.92 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.232 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 p -132.28 160.94 65.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.419 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.97 -24.49 57.53 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.004 2.47 . . . . 0.0 112.35 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.83 -57.65 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -105.15 118.04 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.733 0.302 . . . . 0.0 110.354 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -67.45 160.93 26.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.135 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.564 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -129.47 -167.24 12.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.429 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 67.8 mt -118.79 138.47 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 110.987 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 47' ' ' VAL . 17.8 m -129.74 151.53 35.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -98.42 116.82 31.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.4 t -132.72 119.32 37.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.028 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 69.6 8.95 7.01 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.952 0.782 . . . . 0.0 111.026 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.95 -20.79 21.51 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.137 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.37 155.74 17.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 0.0 110.518 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -101.2 118.64 37.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -118.34 165.32 14.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.1 mpt_? -86.46 146.04 26.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.93 140.12 45.49 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 p -118.86 131.94 56.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.333 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 t -147.48 147.42 30.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.99 37.06 3.29 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.91 162.87 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 p -91.15 108.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.473 0.654 . . . . 0.0 110.037 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 80' ' ' VAL . 64.3 mt -107.19 122.27 46.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.407 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -82.85 165.7 19.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.287 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.67 133.75 31.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.185 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.44 -11.47 70.18 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.631 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.75 170.68 11.92 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.278 0.561 . . . . 0.0 111.599 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.683 ' HE2' ' HZ3' ' A' ' 44' ' ' LYS . 36.0 mt-10 -116.14 128.66 55.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.778 -178.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 74' ' ' LEU . 20.7 m -121.38 149.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.013 0.435 . . . . 0.0 111.737 -176.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 m -95.9 123.06 39.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.007 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.9 t -83.75 113.65 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -102.01 -37.51 8.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.47 163.56 39.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 111.485 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.57 HG12 HD12 ' A' ' 41' ' ' ILE . 27.0 mm -106.92 134.32 48.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.236 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -127.69 93.29 3.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.006 0.431 . . . . 0.0 110.319 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.63 -115.67 8.26 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.297 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.94 11.2 6.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 29.2 mtmt -121.4 156.84 31.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.278 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 mt -104.64 143.0 33.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.841 0.353 . . . . 0.0 110.074 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.55 105.0 16.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -125.35 154.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -174.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.9 165.96 24.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 95' ' ' LEU . 40.5 tttt -69.64 147.02 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.652 0.263 . . . . 0.0 110.694 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.3 mm? . . . . . 0 C--O 1.233 0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.386 170.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD23 HG11 ' A' ' 61' ' ' VAL . 59.3 mt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.39 0.614 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD12 HG13 ' A' ' 85' ' ' ILE . 50.1 mm -73.25 135.62 27.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.563 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.24 26.42 61.78 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.584 -0.734 . . . . 0.0 113.487 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 43' ' ' ARG . 45.9 mtp85 -125.79 160.3 30.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.952 0.376 . . . . 0.0 110.483 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -95.64 144.97 25.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.01 -179.95 18.35 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 60' ' ' LYS . 10.3 p -120.99 144.29 30.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.43 116.8 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.9 mmm -98.43 -24.0 15.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.254 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.61 149.66 41.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.91 123.23 13.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.85 0.719 . . . . 0.0 111.485 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.7 mt -105.48 119.29 54.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.992 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.47 166.37 14.79 Favored Pre-proline 0 N--CA 1.444 -0.759 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 22.6 Cg_exo -63.2 -35.09 65.8 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 111.856 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 53' ' ' PRO . 20.3 mp0 -83.03 -45.48 14.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.429 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -120.62 124.47 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.557 ' HG ' ' HD2' ' A' ' 89' ' ' LYS . 5.5 m -68.07 158.22 33.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.117 -176.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.1 -163.38 12.36 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.714 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.1 mt -120.28 137.1 54.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.651 0.263 . . . . 0.0 111.093 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 HD12 ' A' ' 51' ' ' ILE . 18.2 m -130.02 152.78 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.192 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HB3' HG12 ' A' ' 46' ' ' VAL . 38.7 ttmt -94.71 123.1 37.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.23 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG11 HD23 ' A' ' 40' ' ' LEU . 47.5 t -124.98 110.34 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.82 -80.27 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.074 0.859 . . . . 0.0 111.349 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.96 5.54 1.97 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.25 160.55 22.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -101.87 113.08 25.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.431 ' CD1' ' HB ' ' A' ' 61' ' ' VAL . 67.2 m95 -104.69 163.34 12.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.235 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 7.3 mpt_? -91.08 144.36 25.73 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB1' HG23 ' A' ' 92' ' ' VAL . . . -143.99 140.22 29.5 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.109 0.48 . . . . 0.0 111.462 -174.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 159.72 22.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.294 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -159.79 172.8 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.05 -3.85 55.62 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.31 166.62 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.35 115.64 29.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.05 0.453 . . . . 0.0 110.397 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.844 HD13 HG11 ' A' ' 80' ' ' VAL . 47.8 mt -105.48 126.27 51.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.397 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.44 165.46 12.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.483 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.6 t -73.54 116.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.401 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.69 -18.43 7.17 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.887 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -74.88 169.01 18.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.278 0.561 . . . . 0.0 111.575 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -121.47 135.18 55.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.556 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.844 HG11 HD13 ' A' ' 74' ' ' LEU . 30.6 m -129.19 156.35 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 -177.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 m -113.05 137.59 51.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.186 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.431 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -80.16 114.74 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.238 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -76.68 -53.6 7.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.516 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.525 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -158.75 179.92 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.692 -175.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 41' ' ' ILE . 54.7 mt -117.6 132.45 67.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -107.66 12.8 27.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.0 111.104 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.585 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 136.41 -113.94 1.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.06 -6.99 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.521 0.677 . . . . 0.0 109.858 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.557 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 45.4 mtmt -116.68 160.09 21.25 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.261 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 mt -107.83 147.95 30.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.028 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.9 100.57 10.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.512 HG23 ' HB1' ' A' ' 68' ' ' ALA . 29.1 m -117.82 156.29 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.863 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -138.98 157.04 46.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HA ' HG12 ' A' ' 80' ' ' VAL . 24.4 ttpp -69.74 143.08 53.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.292 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.326 -0.434 0 O-C-N 123.462 0.476 . . . . 0.0 110.299 171.23 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.191 0.519 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 HD11 HG12 ' A' ' 82' ' ' VAL . 47.7 mm -76.17 124.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.25 57.6 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.632 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 43' ' ' ARG . 34.2 mtt180 -114.57 170.75 8.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.644 ' HZ1' ' HE2' ' A' ' 79' ' ' GLU . 27.3 ttmt -89.26 144.84 25.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.166 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.45 144.47 16.29 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.72 143.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 117.49 0.645 . . . . 0.0 110.577 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 59' ' ' VAL . 49.8 t -85.72 111.71 21.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.95 -176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 80.5 mtp -90.97 -37.59 13.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.286 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -123.63 140.85 52.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.689 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.29 116.97 3.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.691 0.619 . . . . 0.0 112.189 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 HD13 HD12 ' A' ' 74' ' ' LEU . 66.8 mt -85.67 139.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.569 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 p -150.98 162.58 26.44 Favored Pre-proline 0 C--N 1.322 -0.626 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.323 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.71 -16.19 49.63 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.62 2.213 . . . . 0.0 111.218 171.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -70.15 -48.62 56.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.992 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -163.77 166.65 21.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.745 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.93 154.56 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.842 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.535 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -112.76 -174.62 19.3 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 93.5 mt -120.22 124.41 45.6 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.844 0.322 . . . . 0.0 110.605 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 47' ' ' VAL . 25.9 m -121.26 143.74 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 38.8 ttpt -94.39 114.31 26.33 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' A' ' 63' ' ' GLY . 21.3 t -97.5 81.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t70 72.95 -32.56 0.25 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.455 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 61' ' ' VAL . . . -146.48 -54.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.1 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.35 164.82 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.564 -0.374 . . . . 0.0 111.055 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -98.05 138.33 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.292 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -132.75 165.18 25.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.495 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.518 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 6.5 mpt_? -79.7 145.73 32.8 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.45 140.73 39.38 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.129 0.49 . . . . 0.0 111.549 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.5 p -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.393 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 p -151.83 169.4 22.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.073 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.91 27.44 16.36 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.159 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 73' ' ' VAL . 1.3 m -147.2 171.57 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.454 ' H ' HG23 ' A' ' 72' ' ' THR . 9.7 p -94.57 131.92 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 51' ' ' ILE . 69.5 mt -121.86 144.0 49.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.954 -175.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -101.22 161.59 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.056 0.455 . . . . 0.0 111.279 -176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.84 128.85 34.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.752 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.06 -5.41 53.04 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.226 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.19 171.65 14.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.095 0.474 . . . . 0.0 111.147 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.644 ' HE2' ' HZ1' ' A' ' 44' ' ' LYS . 33.7 mt-10 -124.34 132.54 53.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.614 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.0 m -123.65 153.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 111.583 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -100.45 126.79 46.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.621 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.576 ' HA ' HG12 ' A' ' 92' ' ' VAL . 25.7 t -79.16 112.87 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.866 0.365 . . . . 0.0 110.192 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -95.95 -43.66 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.148 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.72 -179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.758 0.314 . . . . 0.0 111.517 -175.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.17 134.96 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 83.87 2.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.41 -110.72 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.758 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.21 0.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.882 0.848 . . . . 0.0 109.794 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . 40.5 mtmt -101.18 161.45 13.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.742 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.7 147.13 37.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.954 0.407 . . . . 0.0 109.961 174.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 60.8 t -97.53 112.67 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -123.6 163.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.121 0.486 . . . . 0.0 111.792 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -131.68 159.19 39.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.51 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 62.6 tttm -86.76 137.12 32.69 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.857 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 10.3 mp . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 168.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' HB2' HD12 ' A' ' 85' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.67 99.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.26 0.553 . . . . 0.0 110.148 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.25 2.85 26.25 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.195 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 43' ' ' ARG . 22.0 mmt180 -80.51 166.84 20.8 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 111.05 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 32.9 mtpt -85.89 167.06 15.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.027 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.64 138.73 5.66 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 173.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 13.4 p -102.89 143.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.02 107.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.939 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.1 mmm -87.8 -35.06 18.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.717 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.7 139.69 52.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.31 126.34 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.899 0.749 . . . . 0.0 112.036 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.763 HD13 HD12 ' A' ' 74' ' ' LEU . 74.8 mt -87.17 123.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.678 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -133.37 161.15 65.53 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.854 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.14 -29.05 81.92 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.949 2.433 . . . . 0.0 112.091 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.41 -59.38 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.02 120.23 41.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.753 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 143.61 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.557 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -92.01 174.75 37.62 Favored Glycine 0 C--N 1.315 -0.638 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.277 -172.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -109.7 121.0 44.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 14.8 m -108.67 134.02 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.92 107.77 20.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.4 108.95 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 62.76 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.9 -174.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.33 5.41 3.24 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.908 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -119.79 141.26 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -99.88 133.11 44.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.594 0.711 . . . . 0.0 111.085 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.09 165.1 14.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.268 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.573 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 3.2 mpt_? -93.23 143.98 25.73 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 92' ' ' VAL . . . -130.95 140.1 50.12 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.124 0.488 . . . . 0.0 112.132 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -117.61 130.02 56.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.794 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -142.94 162.41 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.57 -20.93 49.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.111 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.73 150.43 22.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.484 0.183 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 52.7 t -81.61 104.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.208 0.528 . . . . 0.0 109.691 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 51' ' ' ILE . 92.5 mt -95.19 132.12 40.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.009 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.41 162.45 21.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.339 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.25 122.5 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.86 -11.87 27.31 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.908 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.63 167.38 20.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.107 0.48 . . . . 0.0 111.362 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -123.88 141.17 52.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.213 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.15 176.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.158 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -130.89 140.75 50.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.123 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.585 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -81.42 121.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -176.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.64 -48.85 6.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.677 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.97 166.1 25.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 40' ' ' LEU . 45.0 mt -129.64 127.05 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -129.68 95.33 3.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.382 0.61 . . . . 0.0 111.034 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.18 -108.98 2.67 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.896 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.468 ' HB ' HH11 ' A' ' 67' ' ' ARG . 28.3 m -104.99 2.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -115.31 143.21 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.433 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.91 140.92 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.708 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.9 107.1 18.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -127.62 165.69 26.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.92 164.64 36.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.774 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.54 130.5 43.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.554 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.616 -179.862 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 HG13 ' A' ' 85' ' ' ILE . 49.4 mm -83.39 125.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.41 . . . . 0.0 111.176 -174.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 12.04 74.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.811 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -101.84 164.45 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 111.207 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 5.8 tmmm? -87.17 144.83 26.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.225 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -139.51 169.89 24.39 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -124.48 143.81 36.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.55 118.19 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.935 0.398 . . . . 0.0 111.032 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mmt -102.97 -23.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.1 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.3 tp10 -136.84 145.06 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.87 125.76 21.51 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.672 0.607 . . . . 0.0 112.049 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 71.0 mt -105.46 129.9 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.217 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.4 p -134.89 163.02 54.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.843 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.21 -22.21 72.51 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.622 2.215 . . . . 0.0 111.327 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -83.08 -59.48 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.743 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -123.6 132.26 53.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.021 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -62.34 155.94 23.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.053 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 67' ' ' ARG . . . -112.56 -157.33 13.19 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.1 mt -125.41 128.82 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.407 . . . . 0.0 110.828 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.42 144.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -93.19 107.01 18.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.0 t -98.38 103.89 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.15 -73.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.192 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -0.55 0.66 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.472 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -120.22 153.88 35.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.369 0.584 . . . . 0.0 110.728 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -102.24 125.84 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -127.1 156.84 41.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.763 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 4.4 mpt_? -72.47 143.18 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.63 142.64 30.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.157 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -120.33 164.0 16.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -162.23 178.9 8.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.09 -8.02 67.27 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.236 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -119.5 164.73 15.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.72 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 21.6 t -92.75 95.39 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.182 0.515 . . . . 0.0 109.629 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 73.2 mt -86.45 129.81 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.12 164.75 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.12 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.41 130.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.645 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 -10.53 39.59 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.893 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.03 164.28 25.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.513 0.673 . . . . 0.0 112.1 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -107.16 135.2 49.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.732 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.83 163.35 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.022 0.439 . . . . 0.0 111.307 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -124.31 133.26 53.51 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.458 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.7 t -80.24 115.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.279 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.44 -53.91 7.08 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -161.73 174.92 12.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.51 HG13 HD12 ' A' ' 41' ' ' ILE . 61.0 mt -105.09 138.12 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.232 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -121.85 79.34 1.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.942 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.95 -104.33 1.08 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.424 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 -4.41 9.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.575 0.702 . . . . 0.0 110.163 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -108.92 166.4 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -119.82 151.37 38.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -106.84 112.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -119.65 163.2 17.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.507 . . . . 0.0 111.834 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -110.68 176.65 4.95 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -93.85 122.63 36.53 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.868 -176.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 61' ' ' VAL . 40.4 mt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.17 0.509 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HD11 HG12 ' A' ' 82' ' ' VAL . 48.8 mm -61.26 122.7 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.326 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.7 -15.51 58.39 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.898 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -102.54 176.31 5.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 111.357 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -88.65 148.03 24.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.472 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.99 155.9 21.69 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 171.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.46 142.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 117.322 0.561 . . . . 0.0 110.683 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.69 110.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.564 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 83.3 mtp -94.11 -30.58 14.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.8 tp10 -125.9 137.72 53.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.642 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.04 117.45 4.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.965 0.79 . . . . 0.0 112.212 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.551 HD13 HD12 ' A' ' 74' ' ' LEU . 70.7 mt -81.2 104.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.408 176.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -108.4 155.19 40.8 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-O 120.841 0.353 . . . . 0.0 110.803 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HD3' ' HB ' ' A' ' 73' ' ' VAL . 35.5 Cg_exo -60.53 -22.32 71.68 Favored 'Trans proline' 0 CA--C 1.526 0.083 0 C-N-CA 122.964 2.443 . . . . 0.0 112.145 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -94.33 -27.86 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.547 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -146.98 131.45 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -63.03 153.76 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.089 0.471 . . . . 0.0 111.273 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.512 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.58 -179.94 22.15 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.304 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.7 mt -117.43 126.27 52.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.712 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.32 142.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 54.7 tttp -101.99 114.55 28.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.275 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 40' ' ' LEU . 2.4 t -132.57 143.02 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.49 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.731 0.644 . . . . 0.0 110.489 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.25 7.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 68.1 mm-40 -113.56 164.96 12.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.664 0.269 . . . . 0.0 110.796 -176.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -109.95 109.72 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.421 0.629 . . . . 0.0 109.379 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 79.8 m95 -104.22 155.93 18.32 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.383 -173.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.89 135.92 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.3 142.1 51.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.085 0.469 . . . . 0.0 111.573 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.4 p -131.14 148.12 52.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.873 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -152.37 175.89 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.64 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.69 24.14 30.87 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.959 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 73' ' ' VAL . 1.9 m -151.22 172.17 16.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.51 ' H ' HG23 ' A' ' 72' ' ' THR . 7.7 p -96.21 126.25 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.326 0.584 . . . . 0.0 110.742 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.551 HD12 HD13 ' A' ' 51' ' ' ILE . 49.8 mt -117.1 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.77 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.18 -179.28 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.145 0.498 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -83.1 138.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.075 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.96 3.14 70.68 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.91 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.07 173.63 12.39 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.23 0.538 . . . . 0.0 110.759 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.77 143.41 50.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.34 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 94' ' ' LYS . 34.8 m -130.96 167.29 26.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.177 0.513 . . . . 0.0 111.765 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 m -110.26 126.27 54.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.256 173.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.567 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -79.78 113.09 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 25.3 mmtp -95.53 -46.34 6.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.959 -176.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.83 173.89 14.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.77 -174.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -117.76 132.76 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.576 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.49 104.59 6.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.52 -121.32 9.75 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.54 10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.202 0.525 . . . . 0.0 110.215 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -113.84 151.6 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.389 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -89.52 143.1 27.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.166 0.508 . . . . 0.0 110.443 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -97.37 102.9 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 82' ' ' VAL . 26.8 m -122.25 165.4 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.05 146.78 37.61 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.379 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.601 ' HA ' HG12 ' A' ' 80' ' ' VAL . 27.5 ttpt -67.99 141.72 56.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.57 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.646 -177.544 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.684 HD12 HG13 ' A' ' 85' ' ' ILE . 50.3 mm -69.17 118.42 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.373 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.51 6.39 56.49 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.284 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 43' ' ' ARG . 9.6 mmp_? -105.67 158.61 16.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.055 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -87.71 155.98 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.908 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.19 162.16 29.14 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 9.9 p -112.53 143.65 21.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.6 t -87.51 116.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.064 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 11.4 mmt -100.61 -24.63 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.1 tp10 -130.67 133.81 46.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 130.7 43.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.937 0.773 . . . . 0.0 112.055 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 55.9 mt -104.67 111.72 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.354 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 p -109.98 162.63 19.63 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.062 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.01 -20.96 56.16 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.828 2.352 . . . . 0.0 112.119 175.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -94.35 -60.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -113.72 144.27 43.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.442 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 44.3 m -74.86 174.23 9.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.497 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -131.85 -157.57 8.74 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 67' ' ' ARG . 95.9 mt -129.58 132.88 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.465 0.174 . . . . 0.0 110.549 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.91 147.59 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.044 0.45 . . . . 0.0 110.706 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 64' ' ' GLU . 86.7 tttt -112.5 119.59 38.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.865 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.25 87.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 44.95 72.9 0.18 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.789 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.84 -47.99 1.65 Allowed Glycine 0 C--N 1.318 -0.428 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.936 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 25.1 mm-40 -78.75 134.17 37.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.668 0.234 . . . . 0.0 110.693 -174.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -118.65 112.0 19.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.11 157.25 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.752 -175.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.525 ' HB3' ' HG2' ' A' ' 89' ' ' LYS . 5.6 mpt_? -73.85 135.3 43.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -137.31 140.27 41.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.334 0.588 . . . . 0.0 112.072 -175.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.8 m -115.4 164.29 14.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.783 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.3 t -160.55 162.37 32.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.764 ' H ' ' HE2' ' A' ' 93' ' ' GLU . . . -99.62 4.71 58.16 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 166.56 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.2 t -90.11 114.71 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.833 HD13 HG11 ' A' ' 80' ' ' VAL . 49.7 mt -120.11 122.81 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.007 0.432 . . . . 0.0 110.983 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.9 177.41 6.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.562 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.39 133.97 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.923 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.92 -4.51 61.14 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.127 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.22 171.66 14.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.197 0.522 . . . . 0.0 111.8 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -122.07 135.17 54.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.239 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.833 HG11 HD13 ' A' ' 74' ' ' LEU . 27.8 m -134.71 -176.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -138.46 141.76 39.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.494 HG23 HG12 ' A' ' 92' ' ' VAL . 26.2 t -85.14 114.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.107 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -105.12 -28.87 10.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.445 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.37 175.68 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.45 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.684 HG13 HD12 ' A' ' 41' ' ' ILE . 46.8 mt -128.91 139.13 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.066 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.17 98.88 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.05 0.453 . . . . 0.0 110.297 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.9 -119.3 7.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.043 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.48 1.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.589 0.709 . . . . 0.0 109.971 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.525 ' HG2' ' HB3' ' A' ' 67' ' ' ARG . 33.4 mtmm -112.52 157.42 21.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.924 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -101.04 150.8 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.741 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 58.6 t -101.14 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 HG23 ' A' ' 82' ' ' VAL . 32.9 m -109.56 161.72 7.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.764 ' HE2' ' H ' ' A' ' 71' ' ' GLY . 9.7 mm-40 -145.43 169.35 18.5 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.37 124.74 23.99 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.437 0.637 . . . . 0.0 110.196 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.2 tp . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.704 -179.456 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mtp . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.933 0.397 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.5 -90.59 0.17 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m 70.0 123.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.524 0.678 . . . . 0.0 112.107 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.1 t -144.02 122.8 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.062 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -94.7 13.82 23.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -76.08 108.39 8.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.162 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -120.67 100.47 7.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.32 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -123.07 -15.05 7.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.184 0.516 . . . . 0.0 109.655 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -85.36 153.35 22.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.203 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -102.64 155.63 18.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.995 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -82.69 172.99 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.451 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 m 70.81 177.29 0.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.655 0.597 . . . . 0.0 110.729 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.19 16.17 61.26 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.211 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.91 108.0 9.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.297 -0.451 . . . . 0.0 110.276 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -123.65 137.35 54.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -161.06 111.9 1.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.6 mp -77.58 103.72 7.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.958 -173.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -99.14 154.38 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.781 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 62.45 100.52 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.823 0.702 . . . . 0.0 111.674 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.46 -55.43 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.358 0.599 . . . . 0.0 110.476 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.56 114.3 1.6 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.33 172.53 18.33 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.3 mtp 63.87 29.18 14.65 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.769 0.668 . . . . 0.0 110.751 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.9 -178.14 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.335 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.61 127.61 34.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.6 0.238 . . . . 0.0 110.59 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -67.14 114.79 6.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.061 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.2 mt -101.39 103.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.752 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.1 m 73.08 -60.02 0.55 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.744 0.652 . . . . 0.0 111.969 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.85 90.28 0.68 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.395 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 61.14 85.35 0.18 Allowed Pre-proline 0 C--N 1.331 -0.226 0 C-N-CA 122.694 0.398 . . . . 0.0 111.289 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.62 76.56 2.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.372 2.048 . . . . 0.0 110.75 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -97.89 -165.06 1.2 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.66 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -91.09 167.14 12.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.763 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 66.35 24.98 10.47 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.934 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.81 131.88 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.189 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 t -56.49 126.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.399 0.618 . . . . 0.0 110.989 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 15.2 m -94.13 124.97 38.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.191 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -81.84 -8.32 59.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' HG2' ' HB3' ' A' ' 37' ' ' SER . 8.3 ptp180 -67.14 -15.9 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.981 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 37' ' ' SER . 3.1 pp -97.48 0.3 47.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.96 0.409 . . . . 0.0 111.251 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mm -82.05 121.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.419 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.12 36.93 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.72 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -113.99 174.06 6.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.961 0.41 . . . . 0.0 111.32 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.0 145.66 30.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.417 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 165.74 24.61 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.47 143.66 24.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 120.839 0.352 . . . . 0.0 110.238 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.09 120.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.662 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 2.3 mmt -103.05 -29.13 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -128.22 140.22 52.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.43 130.81 40.77 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.615 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 ' HA3' ' A' ' 57' ' ' GLY . 75.5 mt -105.02 130.76 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.554 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 53.6 p -127.9 165.05 32.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 43.2 Cg_endo -77.28 -14.2 16.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.252 1.968 . . . . 0.0 111.66 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.12 -33.76 14.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -143.41 124.82 14.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.979 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.82 ' HG ' ' HD2' ' A' ' 89' ' ' LYS . 6.7 m -65.02 152.57 43.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.368 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -106.65 -162.58 22.35 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.8 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 85.9 mt -122.57 123.03 40.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.96 148.16 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.18 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -101.59 101.83 12.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.02 0.438 . . . . 0.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.18 116.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.397 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 65.57 -84.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.942 0.776 . . . . 0.0 109.678 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.78 5.2 1.5 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.017 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 24.6 mm-40 -106.76 142.47 36.34 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 -176.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -92.56 115.13 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.476 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 95.2 m95 -114.97 151.41 34.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.71 131.74 40.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.0 140.08 47.58 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.73 159.74 23.12 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -157.62 168.05 28.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.47 -11.43 66.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.866 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.62 167.87 11.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.42 119.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD23 ' HB2' ' A' ' 94' ' ' LYS . 46.2 mt -110.44 132.82 53.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.328 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -95.27 174.88 6.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.95 0.405 . . . . 0.0 110.127 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.46 141.21 15.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.85 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.55 66.12 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.166 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 69.6 mm-40 -76.67 167.21 22.24 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.386 0.613 . . . . 0.0 111.685 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.97 128.07 55.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.235 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 94' ' ' LYS . 31.6 m -124.47 157.08 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -107.17 127.44 53.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.841 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 92' ' ' VAL . 31.6 t -82.27 110.0 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.1 -41.91 12.02 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.44 177.88 10.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.56 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 87' ' ' GLY . 21.6 mt -120.16 122.4 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.34 5.91 49.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 0.0 111.066 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.471 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 142.08 -107.41 0.49 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.542 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.01 1.03 10.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 109.644 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.82 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 48.0 mtmt -120.73 158.63 27.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.821 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.24 147.97 28.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.171 0.51 . . . . 0.0 110.401 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.26 107.58 20.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.043 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.8 m -125.63 153.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.94 155.03 50.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 74' ' ' LEU . 15.8 ttpp -83.79 141.33 31.47 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 -170.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mp -58.83 146.68 36.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.456 172.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.92 137.0 38.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.016 0.436 . . . . 0.0 111.227 -175.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.07 179.72 6.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.773 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.09 124.68 18.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.116 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 88.42 6.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.658 0.742 . . . . 0.0 111.573 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.3 73.81 2.6 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.668 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.344 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.36 159.63 28.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.872 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m -61.03 118.27 6.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 111.233 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -85.61 82.69 8.14 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -79.85 -27.56 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.188 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -79.68 89.24 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.821 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -154.0 147.35 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -134.96 166.68 22.46 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -93.8 95.8 9.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.055 0.455 . . . . 0.0 110.583 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -86.17 111.99 20.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 m -130.04 32.4 4.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.663 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -81.26 -19.39 43.18 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.544 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.67 -171.92 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.296 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -131.09 103.09 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 0.0 110.477 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HE2' ' H ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -143.06 106.4 4.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -136.01 32.19 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' H ' ' HE2' ' A' ' 15' ' ' GLU . 89.9 mt -77.54 63.94 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 0.0 111.674 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -84.68 101.25 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -100.2 126.3 46.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 -171.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -70.8 130.38 41.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.59 111.58 3.73 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.779 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -90.61 108.75 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -86.75 176.43 7.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.17 86.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.03 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.51 43.83 1.17 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.934 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.69 80.41 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.472 0.653 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.06 83.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.06 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -130.8 12.76 5.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.282 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -91.31 1.37 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.48 159.18 42.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.85 87.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.173 2.582 . . . . 0.0 113.545 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.3 m -116.57 0.57 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.403 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.86 -167.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.8 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -79.83 122.28 26.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.932 0.396 . . . . 0.0 110.536 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.3 33.39 4.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.911 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -80.87 10.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 122.147 0.975 . . . . 0.0 110.316 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.817 ' HG ' HH21 ' A' ' 39' ' ' ARG . 1.1 m -61.72 -178.95 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.653 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.88 24.74 0.09 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.625 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.817 HH21 ' HG ' ' A' ' 37' ' ' SER . 20.2 ptp180 -87.29 -10.41 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.812 0.339 . . . . 0.0 111.054 -175.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -96.08 -16.65 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.376 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.17 120.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.949 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.72 68.28 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.207 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -111.68 158.7 18.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.969 0.385 . . . . 0.0 110.756 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -92.07 148.08 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.65 174.89 22.8 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.99 145.02 22.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.769 0.284 . . . . 0.0 110.525 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.22 121.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.595 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.2 mtp -101.18 -30.96 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 27.6 tt0 -131.33 140.99 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.327 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.25 123.61 13.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.458 0.647 . . . . 0.0 112.509 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 79.1 mt -92.83 124.9 45.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.78 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 19.2 p -105.99 165.82 12.37 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.278 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 38.2 Cg_endo -80.42 -6.2 13.62 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.161 1.907 . . . . 0.0 110.899 174.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -92.94 -55.68 3.26 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.861 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -119.4 -169.17 1.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -173.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -100.65 151.19 21.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.225 0.536 . . . . 0.0 111.072 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -111.16 179.03 19.82 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 173.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.407 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 86.9 mt -111.58 119.73 39.7 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.304 0.552 . . . . 0.0 111.103 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' THR . 29.0 m -114.52 160.38 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.118 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -123.94 121.28 34.89 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.0 t -123.44 119.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.705 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 67.67 -64.88 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.854 0.721 . . . . 0.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.43 -24.74 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.84 151.67 19.19 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.199 0.5 . . . . 0.0 110.304 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.2 t -100.63 127.79 46.9 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.795 0.807 . . . . 0.0 109.766 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -118.77 163.31 17.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.069 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -86.38 140.7 29.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.63 140.17 46.93 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.107 0.48 . . . . 0.0 111.943 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 p -124.5 144.44 50.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.076 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -151.22 -172.94 4.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.07 -1.57 33.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.018 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.39 166.23 19.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 61.9 t -87.67 99.1 8.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.076 0.465 . . . . 0.0 110.029 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -93.05 114.99 27.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.422 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -94.3 179.41 5.31 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -171.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.07 129.79 34.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.845 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.37 -8.56 38.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.39 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -84.92 175.89 8.81 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -126.75 143.96 51.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.583 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.4 m -124.08 158.99 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.459 -177.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.516 ' HB2' HD21 ' A' ' 95' ' ' LEU . 18.1 t -119.66 127.72 53.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.91 114.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.437 . . . . 0.0 111.185 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -81.21 -48.66 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.037 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.99 177.2 9.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.572 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -108.31 134.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.797 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.92 82.56 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.62 -113.44 4.23 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.042 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.44 -1.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.93 0.872 . . . . 0.0 109.319 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -109.05 162.53 14.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.311 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.4 mt -116.9 147.0 42.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.79 108.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 27.7 m -119.87 148.86 22.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.345 0.593 . . . . 0.0 112.36 -171.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -117.31 166.3 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -82.4 126.79 32.59 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 81' ' ' SER . 0.7 OUTLIER -97.78 140.6 31.91 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' HD13 ' A' ' 95' ' ' LEU . 8.3 tp10 -77.47 143.58 38.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.135 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.6 93.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.7 118.66 26.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.769 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -98.68 144.93 27.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.61 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.45 151.66 22.07 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.047 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.624 179.129 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HB3' ' H ' ' A' ' 2' ' ' GLY . 19.7 mmt . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' H ' ' HB3' ' A' ' 1' ' ' MET . . . -59.0 115.33 7.15 Favored Glycine 0 N--CA 1.449 -0.468 0 O-C-N 123.497 0.498 . . . . 0.0 112.676 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -93.38 88.36 5.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -82.88 96.01 8.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.699 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 162.99 28.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.143 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -85.09 -177.01 6.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -72.33 116.66 13.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.31 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -85.18 118.16 24.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.031 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -103.16 161.76 13.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.198 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.43 104.73 12.58 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -53.94 112.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.355 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -87.3 86.97 7.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.697 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.77 96.77 0.38 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 14' ' ' ARG . 64.0 mtt180 -92.1 93.8 8.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.713 0.292 . . . . 0.0 111.08 -174.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 103.56 8.36 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -151.55 113.26 4.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.463 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt 67.71 63.76 0.4 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 124.096 0.872 . . . . 0.0 110.307 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.64 170.71 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.541 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -92.56 137.14 32.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -92.38 -40.35 10.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.32 -166.62 39.66 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.032 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.37 91.53 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.255 0.55 . . . . 0.0 110.382 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.433 ' HE1' ' HG3' ' A' ' 31' ' ' PRO . 25.9 mmt -76.85 95.34 4.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.744 -172.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.19 8.38 43.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.838 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.56 159.13 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.687 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -104.38 18.14 22.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 110.448 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.07 124.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.404 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -77.33 102.67 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.264 0.554 . . . . 0.0 111.154 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.5 -175.49 41.23 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 pt-20 -148.07 145.21 20.19 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.963 0.381 . . . . 0.0 111.021 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HG3' ' HE1' ' A' ' 23' ' ' MET . 16.6 Cg_exo -67.51 134.05 31.91 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.838 2.358 . . . . 0.0 112.028 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 m -83.68 -35.43 24.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.257 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt 65.1 176.25 0.2 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.431 174.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -85.78 93.13 8.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.477 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.67 104.24 16.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.195 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.69 116.89 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.821 0.343 . . . . 0.0 110.135 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 m -141.39 103.96 4.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.544 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t70 45.87 73.63 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.547 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -143.56 -19.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HB2' HD12 ' A' ' 85' ' ' ILE . 97.3 mt -96.78 -1.4 46.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 84' ' ' ALA . 48.1 mm -69.17 115.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.678 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -4.22 55.72 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.492 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -75.15 156.26 36.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.234 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.711 ' HZ2' ' HE2' ' A' ' 79' ' ' GLU . 30.5 mtpt -96.31 152.27 18.74 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.25 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.18 170.5 27.3 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.6 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -122.84 144.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 59' ' ' VAL . 51.8 t -84.69 112.98 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.909 0.385 . . . . 0.0 111.094 -177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.4 mmm -96.19 -34.14 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.472 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -122.98 132.99 54.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.08 134.23 56.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.643 0.589 . . . . 0.0 112.3 -171.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.529 HG12 ' HA3' ' A' ' 57' ' ' GLY . 70.4 mt -111.49 138.27 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.927 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 54' ' ' GLN . 8.8 p -126.5 165.85 25.57 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.78 1.98 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.789 2.326 . . . . 0.0 112.775 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 52' ' ' SER . 36.0 tt0 -130.86 -51.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -99.21 132.08 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.324 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 m -74.33 164.87 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.529 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -135.15 -162.38 9.72 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.041 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 67' ' ' ARG . 95.6 mt -130.05 131.36 45.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.684 0.278 . . . . 0.0 110.56 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 47' ' ' VAL . 34.7 m -125.63 154.84 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.832 176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 28.5 ttpp -106.01 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.75 122.73 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.078 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.27 -78.36 0.05 OUTLIER 'General case' 0 C--O 1.234 0.279 0 O-C-N 124.026 0.829 . . . . 0.0 111.23 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.8 -3.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.067 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.01 154.67 45.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 117.041 0.42 . . . . 0.0 110.86 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 10.5 t -97.85 135.22 39.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.09 0.471 . . . . 0.0 109.833 174.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -128.24 164.68 22.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.916 -176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.512 ' HA ' HD21 ' A' ' 58' ' ' LEU . 4.0 mpt_? -78.08 138.38 38.73 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' A' ' 59' ' ' VAL . . . -131.82 144.11 50.68 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.698 -174.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 149.28 48.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.005 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 m -155.85 148.25 23.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.016 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.28 7.92 76.4 Favored Glycine 0 CA--C 1.516 0.134 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.716 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 73' ' ' VAL . 1.4 m -131.38 169.14 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 72' ' ' THR . 6.8 p -87.35 126.1 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.793 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 94' ' ' LYS . 66.2 mt -125.88 117.74 23.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.785 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -88.93 177.03 6.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.168 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.42 128.94 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.32 -10.6 39.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.257 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.84 171.68 8.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.284 0.564 . . . . 0.0 111.653 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.711 ' HE2' ' HZ2' ' A' ' 44' ' ' LYS . 23.3 mt-10 -120.6 133.95 55.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.3 m -122.71 156.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.908 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.444 ' HB2' HD21 ' A' ' 95' ' ' LEU . 32.6 t -115.75 130.28 56.79 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.561 ' HA ' HG12 ' A' ' 92' ' ' VAL . 45.9 t -69.5 104.86 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.263 0.554 . . . . 0.0 110.113 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.593 ' HZ1' ' HE2' ' A' ' 93' ' ' GLU . 42.3 tttp -79.04 -42.26 26.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.955 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -162.68 171.91 16.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.683 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.496 HD12 ' HB2' ' A' ' 40' ' ' LEU . 56.2 mt -117.71 132.16 68.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -132.68 102.62 5.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.977 0.418 . . . . 0.0 111.043 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.55 -115.64 7.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.835 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.1 10.78 9.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.775 0.798 . . . . 0.0 110.144 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mtmt -117.07 162.4 17.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.256 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.1 mt -110.14 144.91 38.08 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.051 0.453 . . . . 0.0 109.865 173.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.7 t -102.47 109.81 27.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 30.6 m -122.09 153.92 26.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.055 0.455 . . . . 0.0 111.389 -173.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.593 ' HE2' ' HZ1' ' A' ' 83' ' ' LYS . 8.4 pt-20 -119.19 162.66 18.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.712 176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HB2' HD22 ' A' ' 74' ' ' LEU . 54.8 tttp -82.33 130.94 35.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.416 0.627 . . . . 0.0 110.712 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 81' ' ' SER . 0.2 OUTLIER -99.71 155.01 17.85 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.699 173.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -89.62 121.14 31.53 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.404 ' CG ' ' HZ3' ' A' ' 99' ' ' LYS . 3.1 pm0 -55.9 110.88 0.8 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.95 0.881 . . . . 0.0 110.713 -176.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.66 ' NE2' ' H ' ' A' ' 98' ' ' GLN . 0.5 OUTLIER -81.61 76.29 8.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.218 -173.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HZ3' ' CG ' ' A' ' 97' ' ' GLU . 53.8 mttp -82.23 72.58 9.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.849 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.04 -77.28 0.62 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.891 176.26 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.19 100.55 0.43 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -108.02 134.34 51.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.649 0.262 . . . . 0.0 111.072 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.7 m -121.93 100.86 7.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.459 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -137.44 135.5 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -119.41 151.52 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.867 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -121.36 95.47 4.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.401 0.62 . . . . 0.0 110.271 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -130.6 102.17 6.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.599 -175.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -138.34 114.76 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -94.12 106.6 18.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -122.01 170.44 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 t -82.19 146.77 29.36 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.05 -179.85 42.8 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.197 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 14' ' ' ARG . 10.6 mmt180 -99.67 153.16 19.31 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -81.65 160.89 23.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.684 0.278 . . . . 0.0 110.636 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -72.24 118.15 14.76 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.42 146.78 23.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.138 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -94.37 125.56 39.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.167 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -130.7 124.71 32.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.991 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.26 111.17 22.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.18 158.22 53.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.556 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.37 168.28 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.717 0.294 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm -82.02 133.85 35.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.25 131.1 36.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.945 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.3 88.34 3.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 26' ' ' ARG . 1.5 tpt180 -83.67 81.95 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -87.39 132.45 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.162 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 p -57.23 109.82 0.73 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.55 -14.16 1.06 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.558 -176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.922 ' HE2' ' HA ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -82.64 156.27 68.12 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.626 0.25 . . . . 0.0 110.555 177.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.96 -7.32 9.41 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.648 2.899 . . . . 0.0 114.239 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.922 ' HA ' ' HE2' ' A' ' 30' ' ' GLU . 42.4 m 60.9 58.97 2.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.194 0.521 . . . . 0.0 110.978 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -80.76 169.52 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.569 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -56.96 126.42 27.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.725 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.26 121.11 19.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.32 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.5 117.21 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -63.98 136.17 57.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.388 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.72 -5.53 43.77 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -74.06 -4.23 34.27 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.161 0.505 . . . . 0.0 109.853 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -93.47 -10.12 36.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.431 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.1 mm -69.26 122.88 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.02 -1.82 71.1 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.928 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -95.32 165.81 12.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.928 0.394 . . . . 0.0 111.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -91.93 155.86 17.86 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.994 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.1 167.15 28.41 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.6 143.98 22.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 117.291 0.545 . . . . 0.0 110.489 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.34 113.17 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.428 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.3 mmm -91.22 -34.5 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.7 tp10 -132.06 146.77 52.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.38 135.75 57.75 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 111.237 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 ' HA3' ' A' ' 57' ' ' GLY . 65.9 mt -114.65 132.48 63.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -129.68 162.84 50.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.908 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.46 -42.54 64.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.496 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -84.39 -46.62 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -108.24 104.18 13.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.459 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.783 ' HG ' ' HE3' ' A' ' 89' ' ' LYS . 7.6 m -67.17 152.55 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -157.08 12.59 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.284 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.409 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 91.0 mt -124.85 133.27 53.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 m -129.1 150.46 34.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.963 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -110.08 118.21 35.81 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.89 110.01 29.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.71 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.894 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.43 -6.94 1.53 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.935 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.69 139.81 39.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.975 0.417 . . . . 0.0 110.57 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.3 m -97.95 123.19 41.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.1 165.8 16.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.743 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -90.34 152.15 21.15 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.0 140.91 25.9 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.835 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.578 ' HG1' ' HE2' ' A' ' 86' ' ' GLU . 1.5 m -119.76 164.5 15.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.252 177.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -166.1 170.4 13.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.01 -14.59 51.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.5 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.81 167.45 9.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.58 113.84 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 82.9 mt -102.04 131.42 48.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -99.87 170.99 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.418 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.33 131.84 32.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.94 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.54 -13.3 43.01 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.19 170.47 16.48 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.427 0.632 . . . . 0.0 111.666 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -117.64 141.87 47.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.554 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 22.7 m -124.28 160.4 28.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.012 0.434 . . . . 0.0 111.321 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -111.55 127.66 55.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.339 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -74.18 111.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 62.2 mmtt -84.97 -51.44 6.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.079 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.19 168.62 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.449 . . . . 0.0 111.405 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 87' ' ' GLY . 12.5 mm -109.54 125.94 66.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.578 ' HE2' ' HG1' ' A' ' 69' ' ' THR . 7.4 pt-20 -98.2 6.49 47.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.27 0.557 . . . . 0.0 110.678 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 122.13 -102.47 0.8 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.853 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 89' ' ' LYS . 11.6 p -80.23 -15.79 12.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.204 0.526 . . . . 0.0 111.26 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.783 ' HE3' ' HG ' ' A' ' 56' ' ' SER . 34.3 mtmm -124.63 178.19 5.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.057 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -120.54 150.38 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.706 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -102.58 109.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.2 m -125.15 159.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.178 0.514 . . . . 0.0 111.359 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.67 162.67 29.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.128 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -70.83 131.19 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.364 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.2 134.61 53.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.12 94.63 8.4 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.023 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.19 93.18 7.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 166.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -94.66 159.83 14.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.36 -172.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 37.9 mtmt 68.58 -163.54 0.19 Allowed 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.897 0.748 . . . . 0.0 110.411 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.62 -171.76 41.42 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 C--O 1.252 1.198 0 CA-C-O 119.084 -0.484 . . . . 0.0 110.887 179.567 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttp . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.003 0.43 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.78 0.83 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.326 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -68.7 126.28 29.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.307 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 p -81.68 113.89 19.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.319 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -113.17 98.15 6.95 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -110.62 136.61 49.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -139.94 150.99 45.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.665 0.269 . . . . 0.0 110.643 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -113.25 107.41 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -138.87 135.1 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -103.13 136.3 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.104 0.478 . . . . 0.0 111.198 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 p -114.0 98.44 6.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.635 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -130.19 148.27 52.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.876 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.14 148.77 4.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.244 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -135.15 150.67 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.4 125.8 51.45 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 169.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -101.24 146.1 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.044 0.449 . . . . 0.0 111.055 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -148.5 161.42 41.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.72 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -138.55 149.86 45.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.981 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.51 -65.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.046 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 60.16 93.78 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.826 0.704 . . . . 0.0 110.742 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.61 165.57 12.06 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.682 -0.77 . . . . 0.0 113.015 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 71.5 169.47 0.32 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.488 0.715 . . . . 0.0 110.324 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 ttt -77.35 82.35 3.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.01 134.02 17.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.013 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.85 -166.75 0.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.732 0.645 . . . . 0.0 111.229 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER 64.09 97.76 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.203 0.601 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 48.4 pt -74.82 -175.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.79 HG23 ' H ' ' A' ' 29' ' ' GLY . 1.5 m 70.39 -166.7 0.16 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -176.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.79 ' H ' HG23 ' A' ' 28' ' ' THR . . . -66.78 158.92 49.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.426 -0.416 . . . . 0.0 113.554 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -76.24 160.31 78.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.345 . . . . 0.0 111.076 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.84 118.1 4.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.326 2.017 . . . . 0.0 110.729 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.2 m -105.22 157.94 16.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -92.46 -172.79 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.952 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -76.47 95.32 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.9 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.4 120.7 24.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG12 HD11 ' A' ' 85' ' ' ILE . 7.8 t -57.71 115.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.318 0.58 . . . . 0.0 111.12 -172.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 m -100.67 171.8 7.48 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.152 -177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.1 18.21 1.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.839 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.14 -20.54 64.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.938 0.399 . . . . 0.0 111.025 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.13 -11.68 46.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.492 HD12 HG13 ' A' ' 85' ' ' ILE . 50.2 mm -82.11 128.36 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.004 -174.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.64 5.74 66.48 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.581 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -109.09 167.56 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.212 0.529 . . . . 0.0 111.614 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.705 ' HE2' ' HG ' ' A' ' 95' ' ' LEU . 40.9 ttmt -91.2 143.88 26.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.304 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.0 172.74 19.58 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 p -124.17 142.93 39.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -87.32 111.15 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.75 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.651 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 26.9 mmt -91.57 -37.79 12.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 40.9 tt0 -120.43 133.21 55.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.086 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.43 33.7 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.884 0.74 . . . . 0.0 111.691 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 59.0 mt -109.04 137.46 40.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.941 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -135.97 165.22 37.45 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.698 0.285 . . . . 0.0 110.642 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.17 -10.47 27.39 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.949 2.432 . . . . 0.0 111.773 172.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -102.84 -51.26 3.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.096 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -122.62 135.66 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -74.04 157.32 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.005 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.94 -156.97 10.1 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 67' ' ' ARG . 93.5 mt -132.16 138.76 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.09 143.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.665 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.538 ' HB2' ' HG3' ' A' ' 48' ' ' MET . 34.6 tttp -108.76 122.38 47.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.962 0.41 . . . . 0.0 110.183 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.59 91.58 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.552 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 50.25 67.61 0.89 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.913 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.33 2.52 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.214 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.08 132.2 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -104.85 113.51 27.14 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.552 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -107.23 164.49 12.13 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.078 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.779 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . 64.9 mtt180 -82.14 160.53 23.09 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.676 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.17 140.76 22.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.996 0.427 . . . . 0.0 110.521 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.46 ' HG1' ' HD2' ' A' ' 89' ' ' LYS . 1.8 m -133.49 162.17 32.6 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 t -160.76 168.12 25.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.44 13.1 67.43 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 172.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.59 167.37 18.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.84 129.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD13 HG11 ' A' ' 80' ' ' VAL . 65.9 mt -121.75 125.57 46.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.182 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 171.77 9.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.765 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.19 125.6 34.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.364 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 0.33 54.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.308 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.0 164.56 26.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.333 0.587 . . . . 0.0 111.784 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.94 121.51 45.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.258 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 74' ' ' LEU . 27.3 m -123.97 152.44 29.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.856 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 m -100.98 128.31 47.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.408 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.609 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -85.63 115.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.979 0.418 . . . . 0.0 110.636 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.22 -53.63 5.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.266 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.91 170.4 19.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.334 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.492 HG13 HD12 ' A' ' 41' ' ' ILE . 49.9 mt -112.21 138.18 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE2' ' HE3' ' A' ' 89' ' ' LYS . 36.3 tt0 -134.99 82.86 1.98 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.73 -111.15 3.35 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.583 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.64 -2.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.475 0.655 . . . . 0.0 110.239 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.779 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 51.1 pttt -124.86 166.22 16.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.265 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.7 mt -120.01 150.1 41.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.473 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.7 107.54 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 82' ' ' VAL . 33.5 m -126.67 170.69 16.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.256 0.55 . . . . 0.0 112.199 -172.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.21 175.7 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.288 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.705 ' HG ' ' HE2' ' A' ' 44' ' ' LYS . 2.3 mm? -63.37 156.66 25.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.119 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -79.14 145.15 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.58 ' HE2' ' HZ3' ' A' ' 99' ' ' LYS . 40.0 tt0 -143.42 144.75 32.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -116.02 -5.02 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HZ3' ' HE2' ' A' ' 97' ' ' GLU . 14.1 mptt 65.27 -168.34 0.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -173.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.232 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.898 176.577 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 126.96 92.62 0.81 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -109.8 89.39 3.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.073 0.463 . . . . 0.0 110.96 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -136.46 84.7 2.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -77.58 128.59 34.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -86.83 142.39 28.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.329 0.585 . . . . 0.0 111.54 -171.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -129.76 103.44 6.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.432 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -81.81 132.04 35.27 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -123.79 68.08 1.03 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.628 0.728 . . . . 0.0 109.513 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -150.4 135.73 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.371 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -57.83 116.29 3.37 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.487 0.492 . . . . 0.0 110.968 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -73.08 89.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.947 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 -93.69 1.72 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.923 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 67.02 136.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.598 0.713 . . . . 0.0 111.808 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -75.17 143.48 43.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.586 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.43 159.07 16.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.56 ' H ' HD21 ' A' ' 17' ' ' LEU . 2.7 pt? -110.89 174.68 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.747 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -158.02 107.96 2.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 t80 69.76 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.658 0.742 . . . . 0.0 111.866 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -94.93 106.07 18.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.07 -165.78 22.32 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -140.47 -39.57 0.43 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.168 0.484 . . . . 0.0 110.942 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.3 ttm 69.14 137.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.715 0.634 . . . . 0.0 111.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.22 85.4 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 0.0 110.362 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.74 123.28 49.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.146 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -145.41 142.53 29.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -94.04 154.65 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.217 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -93.54 140.42 29.62 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.181 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -141.24 -67.07 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . 9.1 mp0 -108.21 88.22 4.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.539 ' HD3' ' O ' ' A' ' 29' ' ' GLY . 43.0 Cg_exo -56.38 -37.41 97.1 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.573 2.182 . . . . 0.0 112.288 -177.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -152.77 91.74 1.58 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.139 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 30' ' ' GLU . 39.3 ttpt -96.87 104.66 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -94.78 107.31 19.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.132 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.52 43.71 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 p -54.57 117.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.808 0.813 . . . . 0.0 110.503 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m -113.86 137.64 51.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.527 -176.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -74.21 -10.04 59.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.906 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.225 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.46 -9.6 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.632 HG13 HD12 ' A' ' 85' ' ' ILE . 46.5 mm -89.29 133.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -176.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.52 3.15 61.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.508 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -100.1 173.35 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.637 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.614 ' HZ1' ' HE2' ' A' ' 79' ' ' GLU . 39.4 ttmt -84.84 143.94 28.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.43 165.85 23.09 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.28 144.82 27.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 t -85.92 116.88 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.248 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.414 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 79.8 mtp -94.7 -37.95 11.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.13 175.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.2 tp10 -120.72 135.67 55.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.02 123.41 15.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.765 0.666 . . . . 0.0 112.086 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG12 ' HA3' ' A' ' 57' ' ' GLY . 74.9 mt -91.81 123.62 44.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 22.8 p -124.7 165.08 27.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 62.9 Cg_endo -78.93 -5.51 14.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.052 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -108.02 -34.83 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.22 135.68 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m -70.36 154.79 41.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.291 -174.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -173.57 18.85 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.364 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 6.8 mp -125.36 128.64 48.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.696 0.284 . . . . 0.0 110.56 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG11 HG22 ' A' ' 80' ' ' VAL . 20.0 m -115.97 142.69 28.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 22.2 tttp -103.43 114.41 28.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.027 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.09 87.3 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.715 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.97 -70.37 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.937 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.51 -11.31 2.46 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.536 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.27 158.52 15.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 m -132.46 117.58 18.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -119.39 165.13 14.72 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.606 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -80.42 150.42 29.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.62 140.22 35.02 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.685 -174.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.49 HG22 ' HD2' ' A' ' 89' ' ' LYS . 20.2 p -129.5 139.3 51.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.605 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -152.1 165.9 33.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.81 -22.4 49.85 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.288 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 169.08 11.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.32 129.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 80' ' ' VAL . 46.7 mt -127.18 120.48 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.316 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.57 -179.98 5.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.627 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.21 138.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.354 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.67 -7.81 71.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.903 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -77.21 173.4 11.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.27 0.557 . . . . 0.0 111.687 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.614 ' HE2' ' HZ1' ' A' ' 44' ' ' LYS . 45.9 mt-10 -111.07 129.77 55.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.802 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 74' ' ' LEU . 35.8 m -117.94 146.01 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.341 0.591 . . . . 0.0 111.316 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -105.15 122.05 45.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.395 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.494 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.8 t -79.35 110.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.85 0.357 . . . . 0.0 110.189 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -83.21 -47.54 11.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.397 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -158.12 179.24 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.027 0.441 . . . . 0.0 111.774 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.632 HD12 HG13 ' A' ' 41' ' ' ILE . 37.2 mt -109.47 138.76 35.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.92 79.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.5 -117.26 6.55 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.72 0.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.892 0.853 . . . . 0.0 109.687 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.49 ' HD2' HG22 ' A' ' 69' ' ' THR . 28.3 mtmt -106.84 154.02 21.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.33 141.5 38.59 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -89.54 106.69 17.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.0 m -128.09 161.47 36.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 -172.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -149.42 169.51 20.69 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.215 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.641 ' HD3' ' HG2' ' A' ' 97' ' ' GLU . 80.4 tttt -68.24 140.79 56.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD21 ' H ' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -84.52 145.42 28.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' H ' HD21 ' A' ' 95' ' ' LEU . 35.9 tt0 71.78 24.6 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.892 0.854 . . . . 0.0 109.526 -175.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.641 ' HG2' ' HD3' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -91.05 131.24 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.41 176.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.31 -169.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.695 0.622 . . . . 0.0 110.845 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -108.06 55.91 0.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.23 -146.6 13.85 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.951 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.618 -176.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 123.14 -55.75 0.68 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -96.1 50.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 0.0 109.886 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 p -84.27 -72.94 0.44 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.355 -174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.4 m80 61.58 -81.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.584 0.552 . . . . 0.0 110.067 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 34.8 t-80 65.37 18.01 11.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.774 0.429 . . . . 0.0 111.802 167.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 82.3 m-70 67.9 146.38 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -175.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -85.96 84.78 7.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.58 128.02 28.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.21 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -83.27 -1.11 52.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.466 -173.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 m 68.01 16.81 9.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 m -77.25 147.13 36.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.36 178.81 17.95 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.131 -1.033 . . . . 0.0 113.328 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 16' ' ' ASN . 25.8 mmm180 -95.76 121.81 37.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.307 -0.447 . . . . 0.0 110.549 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.38 -20.25 37.57 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 10.1 t-20 -108.88 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 175.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.87 160.49 32.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.856 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -78.15 128.42 33.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.954 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -94.42 104.02 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.544 0.688 . . . . 0.0 109.86 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -97.67 163.88 12.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.657 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.3 -150.0 43.11 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.826 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 62.4 35.92 14.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.211 0.529 . . . . 0.0 110.34 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.5 157.75 44.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.084 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.96 93.28 3.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.3 145.38 33.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.045 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -128.06 99.4 5.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.297 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt 68.05 103.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.918 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -86.1 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.056 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.72 -15.58 13.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.315 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 143.8 41.38 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.403 -0.398 . . . . 0.0 110.349 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -85.45 90.75 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.527 2.151 . . . . 0.0 111.295 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -119.57 163.56 17.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.709 ' HG3' ' H ' ' A' ' 34' ' ' LYS . 38.9 tptt 67.35 -167.09 0.2 Allowed 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.695 0.622 . . . . 0.0 109.346 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.709 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 60.7 mttm -83.98 101.44 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.937 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.45 -171.47 1.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.811 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.14 122.11 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.549 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.9 m -97.1 141.6 30.04 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.669 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.4 p-10 -76.35 -3.43 36.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -63.67 -29.47 70.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.105 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -87.96 -11.76 46.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG12 ' HA ' ' A' ' 38' ' ' ASP . 35.4 mm -82.68 132.11 32.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.956 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.71 68.05 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.713 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -99.21 164.13 12.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.75 0.309 . . . . 0.0 110.513 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.573 ' HZ3' ' HE2' ' A' ' 79' ' ' GLU . 36.8 ttpt -94.9 144.66 25.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.6 -172.89 12.7 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.17 144.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 120.756 0.312 . . . . 0.0 110.437 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.3 118.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.778 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 3.0 mmt -100.42 -34.24 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 0.0 110.174 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 7.9 tp10 -121.25 137.98 54.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.706 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.51 129.58 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.667 0.604 . . . . 0.0 111.312 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 80.2 mt -103.28 120.06 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.959 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 p -136.92 159.19 71.1 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.68 -29.71 84.13 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.869 2.379 . . . . 0.0 111.563 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -72.22 -51.74 19.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.548 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -133.97 130.02 37.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.988 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -70.32 154.65 41.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.137 0.494 . . . . 0.0 111.06 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.66 -164.08 21.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.752 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 81.6 mt -130.29 123.91 31.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.721 0.296 . . . . 0.0 110.58 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.99 140.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -109.01 105.64 15.25 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.324 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.3 t -116.56 107.09 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.0 t70 66.36 10.86 7.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.35 174.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.33 -21.93 9.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.13 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -87.16 144.63 26.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -114.17 122.81 47.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.93 0.395 . . . . 0.0 110.167 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -125.46 165.34 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.239 -178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -81.44 153.43 26.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.7 142.21 33.33 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.33 0.586 . . . . 0.0 112.441 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 p -134.27 157.98 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.591 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 t -162.94 160.89 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.5 -8.04 88.05 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 73' ' ' VAL . 2.2 m -116.21 169.71 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' H ' HG23 ' A' ' 72' ' ' THR . 7.5 p -95.83 132.06 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.599 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 53.2 mt -123.36 127.43 48.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.32 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.26 178.01 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.33 136.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.947 -174.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -7.96 67.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.299 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.76 169.64 17.91 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.336 0.589 . . . . 0.0 111.366 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.573 ' HE2' ' HZ3' ' A' ' 44' ' ' LYS . 18.1 mt-10 -114.18 135.03 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.847 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 18.9 m -125.65 153.22 33.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.016 0.436 . . . . 0.0 111.609 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.554 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 43.1 t -110.27 124.88 52.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.189 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.3 t -71.32 105.35 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -92.78 -45.32 8.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -173.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.86 -177.74 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.559 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.6 mt -128.26 143.0 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.466 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.573 ' HE2' ' HZ2' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -140.82 90.81 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.213 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.81 -119.55 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.27 7.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.622 . . . . 0.0 109.894 175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HZ2' ' HE2' ' A' ' 86' ' ' GLU . 30.1 mtmm -108.12 139.68 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.224 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.26 148.24 22.62 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.841 0.353 . . . . 0.0 110.28 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.26 108.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 23.1 m -116.43 153.9 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.082 0.468 . . . . 0.0 111.569 -172.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 81' ' ' SER . 7.4 pt-20 -117.34 162.93 17.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.868 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HZ3' ' HE2' ' A' ' 96' ' ' GLU . 12.1 tmtt? -77.43 124.19 27.56 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 96' ' ' GLU . 2.7 tm? -90.14 135.54 33.6 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.758 -178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.584 ' HE2' ' HZ3' ' A' ' 94' ' ' LYS . 5.5 tp10 -121.75 131.95 54.35 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.079 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.93 127.2 32.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.733 -177.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.16 -34.13 56.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.538 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 99' ' ' LYS . 23.8 ttmm 60.04 72.02 0.54 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.498 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.63 -109.78 0.61 Allowed Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.967 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.125 -179.612 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.79 159.81 30.57 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.593 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -77.17 105.6 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.094 0.473 . . . . 0.0 110.501 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 m -68.78 109.67 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.383 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -127.15 110.52 12.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 0.0 111.056 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -157.85 123.96 4.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.667 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -117.81 169.44 9.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -78.45 149.73 33.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.211 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -138.87 139.69 38.19 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -126.1 164.11 21.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.702 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -79.56 104.36 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m -107.62 125.37 51.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.44 -178.53 45.34 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -145.27 142.54 29.57 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.14 171.04 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.705 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -142.42 174.17 10.87 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB3' ' H ' ' A' ' 18' ' ' TYR . 86.1 mt -96.76 -158.81 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.596 0.236 . . . . 0.0 110.885 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' H ' ' HB3' ' A' ' 17' ' ' LEU . 91.6 m-85 -83.17 157.74 22.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.36 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.76 103.51 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -74.55 -10.28 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.055 -173.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.49 -15.22 13.76 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.947 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -70.39 97.99 1.35 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 0.0 110.668 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.5 ttm -162.32 -71.6 0.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.91 -178.32 6.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.217 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.3 22.97 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.553 . . . . 0.0 110.769 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -87.71 101.26 13.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.534 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.589 HD11 ' H ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -61.68 140.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.474 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.6 m -135.57 116.41 14.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.61 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.71 141.59 17.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 35.2 tt0 -107.48 142.29 24.83 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 34.4 Cg_exo -61.23 112.8 1.51 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.857 2.371 . . . . 0.0 112.274 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m -146.47 -177.19 5.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -89.82 -167.3 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.903 ' HZ2' ' HE2' ' A' ' 64' ' ' GLU . 60.7 tttm -49.81 109.05 0.24 Allowed 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.562 0.539 . . . . 0.0 110.938 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.86 151.41 30.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.742 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.97 129.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.39 0.614 . . . . 0.0 110.579 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -106.01 145.2 31.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.264 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.09 -2.47 40.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -74.77 -1.93 24.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.964 0.411 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -91.19 -8.87 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -82.58 123.78 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.304 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.42 6.61 58.56 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.083 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -88.09 158.18 18.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.57 144.38 25.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.614 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.32 164.84 22.78 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 p -118.17 143.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 113.37 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.859 0.361 . . . . 0.0 110.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.747 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 6.6 mmt -96.66 -34.48 11.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.117 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -124.35 142.73 51.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.444 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.98 122.92 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.805 0.69 . . . . 0.0 111.907 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.0 mt -95.18 119.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.674 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 p -131.67 163.28 50.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 0.0 111.421 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.03 -6.64 16.5 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.159 2.572 . . . . 0.0 111.993 171.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.41 -56.2 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.386 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -131.74 138.31 48.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.908 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -66.47 146.71 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -99.88 -173.13 30.42 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.616 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -121.9 127.01 49.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.838 0.351 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.3 147.45 24.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.621 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -110.44 109.03 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.001 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.1 t -88.12 90.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.184 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 69.86 -67.82 0.22 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.728 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 11.8 1.91 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.112 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.903 ' HE2' ' HZ2' ' A' ' 34' ' ' LYS . 70.9 mt-10 -124.99 144.49 50.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.11 0.455 . . . . 0.0 110.812 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.4 m -99.47 121.2 40.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.086 0.47 . . . . 0.0 110.715 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -129.57 164.76 23.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.974 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.525 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.4 mpt_? -84.94 170.73 12.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.26 139.99 19.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.875 0.369 . . . . 0.0 111.296 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -119.52 134.19 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.216 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 t -137.46 168.55 19.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 -18.21 42.09 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -115.61 160.64 19.74 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 122.444 0.298 . . . . 0.0 110.292 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.2 121.09 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.439 0.638 . . . . 0.0 110.393 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 66.2 mt -111.66 122.98 49.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -93.95 176.74 6.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.354 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.34 124.97 30.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.766 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.11 2.74 41.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.504 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.62 164.38 23.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.31 0.576 . . . . 0.0 111.922 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -112.44 123.24 49.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.864 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 32.0 m -119.87 147.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.775 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.9 m -100.11 126.09 46.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.894 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.583 ' HA ' HG12 ' A' ' 92' ' ' VAL . 38.3 t -81.13 112.7 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -85.14 -45.93 11.59 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.62 158.47 42.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 90' ' ' LEU . 65.2 mt -102.82 132.88 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -124.38 79.58 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.52 -115.97 5.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.904 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.39 7.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.336 0.589 . . . . 0.0 110.858 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 67' ' ' ARG . 10.5 ptpp? -126.23 154.97 42.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD23 HG12 ' A' ' 85' ' ' ILE . 56.6 mt -109.18 149.32 29.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.144 0.497 . . . . 0.0 111.438 -175.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 106.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 82' ' ' VAL . 34.9 m -126.78 160.04 35.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.981 -172.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.58 161.81 31.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.538 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.11 137.74 45.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.68 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 150.77 16.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 174.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -80.89 128.3 33.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.598 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -94.39 103.57 15.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.502 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -103.93 141.23 36.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.736 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.52 14.51 11.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.301 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.75 -35.39 4.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.987 177.456 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.723 0.296 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.84 58.29 1.93 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.134 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -69.3 109.04 3.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.312 . . . . 0.0 110.398 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -83.51 137.18 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.223 0.535 . . . . 0.0 110.961 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -117.26 110.36 18.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.945 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -111.95 123.49 50.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.994 0.426 . . . . 0.0 111.535 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -159.8 124.53 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.666 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.89 117.69 32.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -100.64 94.32 6.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.867 0.841 . . . . 0.0 110.117 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -95.25 99.6 11.52 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 p -68.67 131.06 44.56 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.922 -174.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -85.56 125.6 33.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.76 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.55 88.08 0.15 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.76 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -98.02 106.27 18.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.923 0.392 . . . . 0.0 109.98 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 17' ' ' LEU . 10.2 tp10 -144.11 162.65 35.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.01 108.3 3.02 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.134 0.271 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 15' ' ' GLU . 6.1 mp -75.5 84.26 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.272 0.558 . . . . 0.0 110.212 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -132.66 -1.52 3.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.242 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -86.81 61.42 6.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.298 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -157.17 92.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.58 27.72 7.83 Favored Glycine 0 N--CA 1.454 -0.147 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.549 -171.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -148.84 105.34 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.028 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -122.7 116.28 23.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.201 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.51 97.12 2.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.135 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.08 163.15 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.962 0.41 . . . . 0.0 110.862 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 26' ' ' ARG . 8.4 ptm180 -122.63 118.03 27.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.413 0.625 . . . . 0.0 109.692 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 27' ' ' ILE . 2.9 mp -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.829 -168.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 m -91.04 113.75 26.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.411 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.1 155.54 16.15 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.478 -176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -121.44 85.92 43.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.36 98.13 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 111.566 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -102.65 111.66 24.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.34 -175.06 4.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' HE3' ' HB2' ' A' ' 34' ' ' LYS . 32.3 ttmt -97.41 115.01 26.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.841 0.353 . . . . 0.0 110.421 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.74 163.28 12.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.033 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.3 115.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.095 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -106.42 143.3 34.74 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.139 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -83.02 0.41 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.856 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -78.82 6.47 8.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.241 0.543 . . . . 0.0 111.094 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 HD23 HG11 ' A' ' 61' ' ' VAL . 85.0 mt -81.98 -15.72 52.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.549 -0.75 . . . . 0.0 108.98 171.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.71 HD12 HG13 ' A' ' 85' ' ' ILE . 46.9 mm -76.21 124.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.126 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.47 0.06 59.61 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.93 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 43' ' ' ARG . 13.0 mmt180 -93.62 153.65 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HZ3' ' HE2' ' A' ' 79' ' ' GLU . 6.1 tmmm? -86.72 143.35 27.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.791 177.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 163.08 24.11 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.31 142.97 28.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-O 120.941 0.4 . . . . 0.0 110.283 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -87.07 110.55 20.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.688 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 17.6 mmt -93.46 -30.39 15.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.023 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.48 138.51 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 134.49 56.13 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.879 0.737 . . . . 0.0 111.865 -174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.496 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.1 mt -100.95 115.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.816 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.89 166.6 20.41 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.42 -34.33 54.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.845 2.364 . . . . 0.0 112.203 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.36 -44.22 13.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -123.15 126.34 46.84 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 110.602 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 151.99 42.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.315 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -103.6 178.95 25.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.556 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.22 125.58 48.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.016 0.436 . . . . 0.0 111.162 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.38 159.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.07 120.39 27.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG11 HD23 ' A' ' 40' ' ' LEU . 42.8 t -109.26 103.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.917 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 67.24 -74.96 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.93 0.768 . . . . 0.0 111.651 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.75 -1.47 2.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.831 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -111.13 138.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -98.91 120.63 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.318 0.58 . . . . 0.0 110.056 175.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -117.24 160.58 20.85 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.106 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' HD3' HG12 ' A' ' 88' ' ' VAL . 9.0 mpt_? -86.81 161.57 18.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.62 146.15 31.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.919 0.39 . . . . 0.0 111.829 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.614 ' HG1' ' HZ1' ' A' ' 89' ' ' LYS . 31.7 p -132.2 142.13 49.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.659 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 t -152.7 160.79 43.14 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.42 74.27 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.327 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.7 p -100.7 144.7 29.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.511 0.196 . . . . 0.0 110.978 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.8 131.24 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.037 0.446 . . . . 0.0 109.87 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.3 mt -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.182 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.13 164.89 14.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.171 0.51 . . . . 0.0 111.184 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.28 139.78 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.441 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -11.27 61.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.278 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -78.2 172.43 13.57 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.281 0.562 . . . . 0.0 111.721 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HE2' ' HZ3' ' A' ' 44' ' ' LYS . 35.8 mt-10 -122.21 138.92 54.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.335 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.2 m -130.64 156.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.104 0.478 . . . . 0.0 112.116 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -103.45 121.47 42.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.492 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.6 t -77.02 109.76 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.765 ' HZ1' ' HE2' ' A' ' 93' ' ' GLU . 20.9 tttp -97.74 -34.89 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.466 -174.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.482 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.85 156.63 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.525 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.71 HG13 HD12 ' A' ' 41' ' ' ILE . 63.8 mt -111.79 133.11 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.52 97.29 2.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 -123.14 5.94 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.611 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.4 HG12 ' HD3' ' A' ' 67' ' ' ARG . 7.3 t -105.69 2.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.686 0.755 . . . . 0.0 109.521 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.614 ' HZ1' ' HG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -123.61 151.23 43.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.324 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 85' ' ' ILE . 56.7 mt -99.57 150.32 22.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.555 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 52.1 t -95.9 107.34 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 172.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.2 m -120.07 160.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.32 0.581 . . . . 0.0 112.069 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.765 ' HE2' ' HZ1' ' A' ' 83' ' ' LYS . 30.1 mt-10 -119.87 159.26 24.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 173.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.29 140.13 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.13 152.21 17.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.28 111.97 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -174.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 119.68 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.29 116.27 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.451 -173.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -72.46 -27.84 62.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.423 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 144.31 -36.97 1.43 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.353 -0.832 . . . . 0.0 108.887 174.319 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.5 128.44 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -76.04 104.93 6.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.079 0.466 . . . . 0.0 111.177 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -88.38 71.84 8.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.424 0.631 . . . . 0.0 110.292 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -108.2 130.73 55.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.967 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -151.27 105.24 3.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.158 0.504 . . . . 0.0 110.573 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -75.35 109.83 9.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -118.89 115.5 24.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.959 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -133.05 88.3 2.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -91.72 97.69 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.755 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -101.54 110.76 22.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.797 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 p -148.67 96.05 2.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.155 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.18 -42.74 66.05 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 50.8 ttt180 70.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.532 0.733 . . . . 0.0 111.413 172.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' HG2' ' A' ' 14' ' ' ARG . 45.8 mt-10 -136.18 83.16 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' H ' HD12 ' A' ' 17' ' ' LEU . 4.8 p-10 -135.64 18.91 3.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.89 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 16' ' ' ASN . 5.9 mp -83.69 84.44 7.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.977 -175.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 88.1 t80 71.0 134.34 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.755 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -162.77 -33.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.715 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.11 116.91 30.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.77 -90.65 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.91 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 63.16 40.57 8.79 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.052 0.453 . . . . 0.0 110.821 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 65.73 -179.02 0.19 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.064 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.83 -176.03 3.31 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.9 110.0 0.07 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.122 0.889 . . . . 0.0 112.265 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.63 HH21 ' HG1' ' A' ' 28' ' ' THR . 38.2 mtp180 -138.98 133.48 31.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.672 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 tt -140.07 110.28 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.425 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.63 ' HG1' HH21 ' A' ' 26' ' ' ARG . 0.3 OUTLIER -109.57 169.39 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.654 -174.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.91 172.95 19.26 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.391 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 47.0 mt-10 -114.6 149.14 41.77 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 Cg_exo -69.0 79.35 0.71 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.766 2.311 . . . . 0.0 111.971 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.0 p -72.33 105.53 4.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.958 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -83.82 147.4 27.59 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.576 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.785 ' HZ1' ' HB3' ' A' ' 34' ' ' LYS . 4.2 ttpm? 67.48 84.28 0.16 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.537 -176.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.8 158.79 16.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.016 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -102.58 115.92 45.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.992 0.425 . . . . 0.0 110.618 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -93.71 149.33 21.32 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.557 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.62 3.81 10.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -76.58 -9.44 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.919 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 mt -88.49 -11.68 45.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.126 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.75 121.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.66 15.85 48.11 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.206 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 8.2 mmp_? -93.46 159.87 15.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.099 0.476 . . . . 0.0 110.607 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.709 ' HZ1' ' HE2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -86.77 143.39 27.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.442 176.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.62 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -140.99 171.91 23.92 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -125.45 143.0 40.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.656 0.265 . . . . 0.0 110.496 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.8 t -87.28 109.75 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.8 mtp -95.13 -36.02 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.964 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 11.0 tp10 -120.07 134.83 55.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.78 124.9 17.96 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.586 0.554 . . . . 0.0 111.954 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.544 HG12 ' HA3' ' A' ' 57' ' ' GLY . 66.8 mt -101.13 126.23 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.134 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 p -128.69 160.67 61.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.2 -32.09 86.2 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.756 2.304 . . . . 0.0 111.924 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -84.58 -58.83 2.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.215 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.67 129.75 55.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -173.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -67.53 158.3 32.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.475 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.544 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -118.98 -164.09 12.66 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.3 mt -127.12 128.63 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.958 0.408 . . . . 0.0 111.242 -176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.71 155.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -121.07 115.27 22.81 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.908 0.385 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.19 71.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 65.13 -76.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.457 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.53 -32.26 8.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.29 -174.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -117.43 141.79 47.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -99.45 122.56 42.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.326 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.41 156.47 27.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.17 141.02 32.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 92' ' ' VAL . . . -133.9 140.48 46.84 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.148 0.499 . . . . 0.0 111.965 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 p -114.7 144.42 43.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.871 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.457 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 48.2 m -145.01 158.51 43.79 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.208 0.317 . . . . 0.0 110.582 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 7.52 70.5 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.46 168.39 15.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.21 110.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.735 HD13 HG11 ' A' ' 80' ' ' VAL . 76.0 mt -101.6 125.63 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 110.856 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.58 161.07 21.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.853 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.22 131.85 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 1.0 61.55 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.297 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.821 ' HE2' ' HZ1' ' A' ' 94' ' ' LYS . 6.7 mm-40 -78.91 164.72 24.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.476 0.655 . . . . 0.0 111.701 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.709 ' HE2' ' HZ1' ' A' ' 44' ' ' LYS . 6.6 mm-40 -114.75 124.56 52.08 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.15 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.735 HG11 HD13 ' A' ' 74' ' ' LEU . 26.8 m -125.62 154.28 34.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.048 0.451 . . . . 0.0 111.894 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m -102.92 130.53 50.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.897 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.61 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -77.4 105.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -90.2 -33.01 16.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.266 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.27 179.23 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.8 mt -125.15 136.19 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -133.61 110.36 9.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.89 -114.67 4.28 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 88' ' ' VAL . 13.6 t -119.45 8.22 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.882 0.849 . . . . 0.0 108.913 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -110.25 153.48 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.393 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.22 148.1 23.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.288 0.566 . . . . 0.0 110.768 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.56 100.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.9 m -117.21 157.53 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -174.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -146.09 155.65 42.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.821 ' HZ1' ' HE2' ' A' ' 78' ' ' GLU . 40.4 tttp -66.56 142.97 57.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.165 -171.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.712 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 8.0 mp -70.26 -179.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.839 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 37.5 tt0 67.49 35.37 4.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.586 0.707 . . . . 0.0 109.918 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 151.09 36.45 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 64.62 43.04 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.42 106.45 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.122 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.57 -117.3 3.56 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -174.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.614 175.083 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 ttp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.64 0.257 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.99 85.35 1.56 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.231 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -65.61 -64.11 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 p 41.0 79.18 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -80.23 80.66 6.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.874 0.369 . . . . 0.0 110.088 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -71.09 110.55 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.864 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -94.8 139.5 31.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.162 0.506 . . . . 0.0 111.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -111.87 118.7 36.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.083 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -64.79 108.55 1.77 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.494 0.664 . . . . 0.0 110.561 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.942 ' HE2' ' HE2' ' A' ' 15' ' ' GLU . 11.1 t-80 -88.78 75.12 8.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -100.25 113.69 26.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.44 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -68.32 89.45 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.55 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.72 -72.04 1.14 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 173.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -135.52 31.23 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.593 0.235 . . . . 0.0 110.658 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.942 ' HE2' ' HE2' ' A' ' 10' ' ' HIS . 42.1 tt0 -72.99 89.61 1.44 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.431 0.634 . . . . 0.0 109.914 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -139.36 117.57 11.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.592 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt -113.05 116.62 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -70.92 109.18 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -93.03 103.16 15.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.035 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -97.44 110.68 23.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.096 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 97.43 0.12 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.895 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -87.6 148.81 24.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.01 132.09 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 110.738 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.59 163.82 22.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.679 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 128.86 34.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.307 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.65 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 2.3 tpp180 -92.05 119.13 31.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.51 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 ' O ' ' HB ' ' A' ' 28' ' ' THR . 2.9 mp -99.2 -63.38 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 176.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.65 ' OG1' ' HD2' ' A' ' 26' ' ' ARG . 89.3 m 73.29 131.44 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 111.48 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.94 177.12 19.1 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.645 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.54 153.43 87.64 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.746 0.308 . . . . 0.0 111.006 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.01 -4.25 9.86 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.09 2.527 . . . . 0.0 112.792 175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 t -66.08 158.61 28.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.296 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -77.68 -11.35 59.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -103.25 11.46 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.853 0.835 . . . . 0.0 109.941 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.38 159.88 33.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.607 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 p -83.32 111.21 19.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.909 0.862 . . . . 0.0 111.212 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 m -81.91 130.79 35.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.888 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.48 20.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.683 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -79.2 0.32 28.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.694 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -85.0 -19.87 31.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.091 0.472 . . . . 0.0 109.886 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 HG13 ' A' ' 85' ' ' ILE . 50.0 mm -61.69 122.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.88 67.47 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.68 -0.771 . . . . 0.0 113.042 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -101.12 168.08 9.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -102.32 152.97 20.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.63 -170.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.35 172.24 27.8 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.21 143.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.3 t -83.99 108.42 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.458 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mmm -92.23 -35.5 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.361 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 58' ' ' LEU . 10.1 tp10 -122.76 137.35 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 134.72 56.83 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.553 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.666 HD13 HD12 ' A' ' 74' ' ' LEU . 65.2 mt -100.56 121.95 51.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.096 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 p -122.82 158.15 57.91 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.937 0.399 . . . . 0.0 111.06 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.69 -35.2 86.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.243 2.629 . . . . 0.0 112.814 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.14 -39.92 17.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.265 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -132.85 127.44 34.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 0.0 111.081 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.477 ' HG ' ' HD2' ' A' ' 89' ' ' LYS . 13.5 m -68.93 156.82 37.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.18 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.96 -165.11 21.42 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.068 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 96.1 mt -127.42 128.39 45.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.729 0.3 . . . . 0.0 110.371 -177.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 47' ' ' VAL . 35.1 m -126.46 146.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.267 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.16 124.08 46.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' A' ' 63' ' ' GLY . 46.3 t -131.08 117.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.419 -177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 74.98 -35.35 0.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.925 0.766 . . . . 0.0 112.096 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 61' ' ' VAL . . . 170.88 -27.89 0.11 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.121 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.93 155.38 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.432 . . . . 0.0 111.016 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -104.0 119.77 39.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.858 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -116.6 162.72 17.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 -175.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.76 133.85 35.72 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.29 141.22 51.77 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.36 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 161.34 35.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.781 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.0 p -166.42 -174.53 2.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.942 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.03 2.22 61.45 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.448 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 167.64 10.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.722 0.296 . . . . 0.0 110.617 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.06 102.64 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD12 HD13 ' A' ' 51' ' ' ILE . 85.6 mt -99.88 130.77 46.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.37 172.44 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.528 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.4 t -77.19 121.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.222 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.6 -20.86 8.18 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.7 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.11 165.62 23.77 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.239 0.542 . . . . 0.0 111.558 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -115.16 132.68 56.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.353 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.602 HG11 HD13 ' A' ' 74' ' ' LEU . 29.1 m -126.27 158.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -120.93 138.3 54.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.858 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 37.4 t -71.59 121.93 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.942 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.717 ' HZ1' ' HE2' ' A' ' 93' ' ' GLU . 32.1 tttp -95.69 -44.38 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.095 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.09 -178.3 7.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 41' ' ' ILE . 44.1 mt -128.47 132.89 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.823 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.35 94.76 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.9 -107.68 2.31 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.196 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.22 4.37 8.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 109.182 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 32.6 mtmm -105.95 152.82 22.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.194 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -103.27 144.79 30.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.69 111.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.3 m -122.41 157.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.33 -174.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.717 ' HE2' ' HZ1' ' A' ' 83' ' ' LYS . 40.6 mt-10 -125.15 153.26 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 80' ' ' VAL . 17.0 ttpp -77.51 132.35 38.34 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.66 144.52 55.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.24 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.82 172.43 7.67 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.523 -173.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 98' ' ' GLN . 5.0 mp0 -94.25 19.28 9.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.225 -173.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 97' ' ' GLU . 24.7 mt-30 75.63 69.78 0.08 Allowed 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.387 0.675 . . . . 0.0 109.896 -173.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 61.1 -79.73 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.146 -1.388 . . . . 0.0 112.034 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.68 42.89 0.7 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.715 -0.659 . . . . 0.0 110.326 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.8 71.4 2.88 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 101' ' ' SER . 6.0 p -82.04 -170.41 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 0.0 111.607 -176.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.538 ' HG ' ' HD1' ' A' ' 8' ' ' HIS . 19.8 m -66.03 80.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.571 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -129.63 0.71 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.488 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -133.93 -73.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' A' ' 8' ' ' HIS . 25.1 p-80 -109.99 157.17 19.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.232 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.538 ' HD1' ' HG ' ' A' ' 4' ' ' SER . 58.2 t-80 70.11 130.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.818 0.699 . . . . 0.0 110.381 -175.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -96.48 135.1 38.83 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.187 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -65.03 142.44 58.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -57.68 121.42 10.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.957 -175.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 m -107.85 149.87 27.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.301 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.47 56.03 4.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.423 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.722 ' HG3' ' HE1' ' A' ' 18' ' ' TYR . 25.7 mmt180 -131.04 149.98 52.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.831 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.36 -58.42 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.808 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -106.71 151.72 24.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.479 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.95 104.88 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.648 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.722 ' HE1' ' HG3' ' A' ' 14' ' ' ARG . 34.2 p90 -85.38 6.17 27.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.873 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -138.7 117.67 12.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.715 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -98.29 97.37 8.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.811 0.339 . . . . 0.0 110.622 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.27 69.77 0.91 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.919 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -114.03 109.57 18.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.696 -0.296 . . . . 0.0 110.315 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -42.62 77.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.146 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 52.24 33.89 13.48 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.699 0.4 . . . . 0.0 111.844 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.75 87.49 7.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -166.97 157.84 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.841 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' H ' HG13 ' A' ' 27' ' ' ILE . 2.7 pp -78.88 165.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -78.93 130.95 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.664 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.582 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -77.35 -154.08 6.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.563 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -110.56 86.36 5.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.308 . . . . 0.0 110.751 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.582 ' HD3' ' O ' ' A' ' 29' ' ' GLY . 38.4 Cg_endo -92.77 66.89 0.63 Allowed 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.24 2.627 . . . . 0.0 112.613 -177.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.7 m -87.81 -22.29 24.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -115.35 83.09 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.406 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -98.64 114.14 26.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.338 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -154.52 136.92 14.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.242 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' HA ' ' HH2' ' A' ' 66' ' ' TRP . 7.3 p -138.64 136.87 43.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 m -98.48 -14.18 20.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.889 -175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' O ' HG12 ' A' ' 41' ' ' ILE . 1.5 m-20 63.28 -41.7 0.2 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HE ' ' HD2' ' A' ' 62' ' ' ASP . 15.8 ptt180 -72.95 10.87 0.79 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.94 -0.475 . . . . 0.0 111.716 -176.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.551 ' HB2' HG11 ' A' ' 61' ' ' VAL . 1.1 pt? -95.22 -11.95 27.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.796 0.331 . . . . 0.0 110.122 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 38' ' ' ASP . 37.2 mm -70.47 113.61 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 13.98 59.44 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.844 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -109.77 170.9 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 111.257 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.733 ' HZ1' ' HB3' ' A' ' 44' ' ' LYS . 10.5 mtpm? -87.91 147.84 24.89 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.499 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' A' ' 61' ' ' VAL . . . -142.46 135.8 6.82 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.112 174.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.2 143.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-O 120.914 0.388 . . . . 0.0 109.995 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -82.98 116.51 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.634 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 86.5 mtp -96.49 -32.29 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.268 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -129.69 141.0 50.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.682 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.35 124.15 17.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.821 0.701 . . . . 0.0 112.283 -173.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.549 HG12 ' HA3' ' A' ' 57' ' ' GLY . 73.1 mt -89.16 116.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.897 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 43.7 p -137.97 165.74 31.32 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.082 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 39.1 Cg_endo -81.09 4.35 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.66 2.24 . . . . 0.0 111.416 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -98.48 -41.02 7.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.585 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -149.47 127.95 12.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.691 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -59.68 147.85 36.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 110.415 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -96.24 175.72 32.28 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.883 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.6 mt -116.75 127.44 54.37 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.93 141.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.634 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 64.5 tttm -98.67 106.87 19.19 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 40' ' ' LEU . 27.8 t -116.0 124.38 72.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.768 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.593 ' HD2' ' HE ' ' A' ' 39' ' ' ARG . 9.9 t70 66.13 -83.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.934 0.771 . . . . 0.0 110.214 -177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.65 2.49 1.07 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.235 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -112.04 152.6 28.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.993 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -99.9 114.2 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.453 ' HH2' ' HA ' ' A' ' 36' ' ' VAL . 66.4 m95 -108.01 163.97 12.68 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 4.2 mpt_? -91.21 143.48 26.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.41 152.26 46.93 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.245 0.545 . . . . 0.0 112.165 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -144.43 159.7 42.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.415 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 72' ' ' THR . 6.4 t -151.02 8.14 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.296 0.57 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.53 1.26 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.324 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 73' ' ' VAL . 2.0 m -105.87 171.53 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.52 ' H ' HG23 ' A' ' 72' ' ' THR . 7.9 p -85.87 134.19 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.498 . . . . 0.0 111.294 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.541 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -128.54 131.5 48.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.07 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.84 178.88 5.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.04 137.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.506 -175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.31 -6.13 63.3 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.161 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.801 ' HE2' ' HZ1' ' A' ' 94' ' ' LYS . 49.5 mm-40 -72.78 164.58 26.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.33 0.586 . . . . 0.0 112.094 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.83 123.21 45.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.698 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.82 160.98 34.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.954 0.407 . . . . 0.0 111.347 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.6 m -112.57 132.05 55.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.269 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.405 HG23 HG12 ' A' ' 92' ' ' VAL . 46.3 t -89.18 108.46 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.151 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -96.48 -37.65 10.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.72 170.64 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 111.275 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -125.83 131.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.67 ' HE2' ' HZ2' ' A' ' 89' ' ' LYS . 0.9 OUTLIER -120.18 94.55 4.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.29 -112.53 3.78 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.02 1.3 10.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.662 0.744 . . . . 0.0 109.753 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' HZ2' ' HE2' ' A' ' 86' ' ' GLU . 25.0 mtmm -108.8 153.18 23.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.734 -178.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -100.84 146.07 27.77 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.936 0.398 . . . . 0.0 110.397 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.55 100.49 10.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.405 HG12 HG23 ' A' ' 82' ' ' VAL . 34.2 m -112.6 156.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.465 -172.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.21 158.1 40.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.801 ' HZ1' ' HE2' ' A' ' 78' ' ' GLU . 60.4 tttp -73.02 143.06 47.67 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.47 HD22 ' HE2' ' A' ' 44' ' ' LYS . 4.6 mp -53.81 141.59 26.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.836 171.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 60.56 81.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.909 0.755 . . . . 0.0 109.884 -172.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 pm0 -70.43 94.44 0.96 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.827 0.822 . . . . 0.0 110.093 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.465 ' HB3' ' HD2' ' A' ' 99' ' ' LYS . 37.0 tt0 -80.22 -47.15 15.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.632 -176.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -80.0 116.7 20.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.478 -176.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.67 124.42 0.73 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.783 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.628 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 49.5 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.019 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.05 -157.91 29.8 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.287 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -148.99 111.31 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -93.02 87.35 5.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.17 0.509 . . . . 0.0 111.818 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -133.78 98.58 4.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.614 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -97.11 124.82 41.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.177 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -138.06 90.91 2.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 110.318 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -144.78 85.3 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.44 104.6 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -77.31 114.39 16.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 m -69.75 161.29 30.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.722 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -147.4 80.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.159 0.504 . . . . 0.0 109.741 177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.11 46.18 1.2 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.056 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -100.85 148.73 24.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.594 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.781 ' HG2' ' H ' ' A' ' 16' ' ' ASN . 31.4 tt0 -83.56 -177.39 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.321 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.781 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 7.1 t30 -153.79 114.68 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.311 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.32 144.91 46.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -130.12 145.14 51.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -172.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 t80 65.42 -107.99 0.15 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.629 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 52.74 28.31 6.18 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.75 0.42 . . . . 0.0 111.81 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.24 135.84 2.04 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.881 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -112.16 19.8 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.246 0.546 . . . . 0.0 110.303 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -125.07 93.99 4.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.345 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.24 145.38 14.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.7 172.03 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.589 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 61.04 31.08 19.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.515 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -92.88 -19.02 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.534 0.683 . . . . 0.0 109.968 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -152.66 122.62 7.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.232 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.96 112.34 0.83 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.28 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -105.04 90.36 3.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -19.84 87.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.912 1 C-N-CA 126.376 4.718 . . . . 0.0 116.245 -168.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -150.67 20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -101.58 156.66 17.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.651 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -139.23 14.46 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.69 0.757 . . . . 0.0 109.41 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.29 155.73 19.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 t -79.6 124.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 m -114.82 157.6 23.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.88 -0.73 14.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.447 0.642 . . . . 0.0 110.179 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.575 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -81.93 9.46 8.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.437 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -96.44 -23.2 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.715 HD12 HG13 ' A' ' 85' ' ' ILE . 45.3 mm -74.51 129.92 36.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.044 -176.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.64 12.1 75.84 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.834 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 39' ' ' ARG . 84.8 mtp180 -117.23 159.45 22.64 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.723 -0.281 . . . . 0.0 110.365 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -92.58 152.84 19.39 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.556 0.693 . . . . 0.0 111.504 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.37 -179.9 19.63 Favored Glycine 0 N--CA 1.436 -1.365 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.558 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.88 143.68 34.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.477 ' HA ' HG12 ' A' ' 59' ' ' VAL . 26.4 t -84.24 114.4 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.962 0.41 . . . . 0.0 110.26 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.6 mmm -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.7 142.16 49.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.954 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.37 135.06 45.55 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.578 0.549 . . . . 0.0 111.558 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.52 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.4 mt -109.49 129.91 63.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.191 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -123.13 160.95 47.51 Favored Pre-proline 0 N--CA 1.447 -0.598 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 70' ' ' SER . 27.6 Cg_exo -60.87 -19.4 61.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.052 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -99.45 -54.0 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -109.93 135.56 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.61 154.69 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.225 0.536 . . . . 0.0 111.136 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.52 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.13 -168.46 17.08 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.271 -1.131 . . . . 0.0 110.271 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.2 134.99 49.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.305 0.553 . . . . 0.0 110.758 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 47' ' ' VAL . 20.1 m -130.15 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.185 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -104.55 110.3 22.53 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.0 t -130.6 130.69 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.836 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.6 t70 72.03 -1.72 2.78 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.733 0.646 . . . . 0.0 110.9 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.44 -20.13 11.29 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.825 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -99.53 156.36 17.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.494 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 m -97.46 121.51 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -118.22 163.25 16.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.986 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -82.36 148.59 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.32 140.72 45.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.978 0.418 . . . . 0.0 111.514 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.6 p -126.17 135.38 51.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.484 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 27.2 m -138.93 160.57 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.396 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.94 -5.4 87.82 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.195 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.98 168.59 18.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.0 p -84.91 125.06 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.561 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -113.98 141.91 46.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.98 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.63 176.12 5.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.157 0.503 . . . . 0.0 110.981 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.92 138.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.883 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.18 -13.63 64.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.207 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.592 ' HE2' ' HZ1' ' A' ' 94' ' ' LYS . 67.9 mm-40 -71.94 166.56 21.9 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.448 0.642 . . . . 0.0 112.035 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.65 127.45 55.28 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.045 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.93 163.1 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.585 ' HG ' ' HG ' ' A' ' 95' ' ' LEU . 66.6 m -123.82 139.33 54.08 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.033 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.0 t -86.24 117.44 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 -176.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.723 ' HE2' ' HB2' ' A' ' 16' ' ' ASN . 94.0 mttt -102.48 -28.49 12.16 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.556 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.8 165.04 33.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.759 0.314 . . . . 0.0 111.484 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.715 HG13 HD12 ' A' ' 41' ' ' ILE . 63.8 mt -117.01 137.16 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.15 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG3' ' HE3' ' A' ' 89' ' ' LYS . 8.8 tp10 -128.09 45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.813 0.816 . . . . 0.0 109.21 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.434 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 87.25 -120.93 5.65 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.791 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.4 m -79.93 -6.67 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.345 0.593 . . . . 0.0 110.097 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HE3' ' HG3' ' A' ' 86' ' ' GLU . 36.7 mtmt -107.03 143.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.313 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.44 147.76 34.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.094 0.473 . . . . 0.0 110.257 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 51.7 t -94.31 101.49 12.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.8 m -125.42 159.08 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.176 -173.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -145.49 165.05 29.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.842 172.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.592 ' HZ1' ' HE2' ' A' ' 78' ' ' GLU . 60.5 tttp -72.23 135.9 46.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.241 0.543 . . . . 0.0 110.797 -177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.585 ' HG ' ' HG ' ' A' ' 81' ' ' SER . 0.5 OUTLIER -108.06 161.51 14.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.059 175.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.81 154.44 40.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 111.328 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.444 ' O ' ' HD2' ' A' ' 99' ' ' LYS . 39.6 tt0 -76.12 122.86 24.91 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.74 112.66 17.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.049 0.452 . . . . 0.0 111.311 -172.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' HD2' ' O ' ' A' ' 97' ' ' GLU . 12.2 mptt -86.96 141.04 28.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.332 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.47 178.91 20.65 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.182 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.016 178.599 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.92 75.86 0.6 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.318 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 p -115.19 91.19 3.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 p -134.12 81.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.237 0.541 . . . . 0.0 110.644 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.29 98.76 4.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.293 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -135.41 134.53 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.972 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.65 165.43 11.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.468 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -102.37 107.67 18.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -87.41 75.72 9.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.75 0.786 . . . . 0.0 109.41 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -79.85 90.64 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.739 0.78 . . . . 0.0 110.897 -175.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -146.11 114.08 6.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.717 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 t -114.83 91.65 3.69 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.09 140.95 15.32 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.944 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -154.46 126.71 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.03 112.31 25.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -81.95 78.77 8.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.447 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.8 153.23 45.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.432 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.1 112.43 24.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.041 0.448 . . . . 0.0 110.149 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.48 141.64 32.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.354 -174.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -123.33 -165.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.97 130.47 7.06 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.144 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -143.94 109.1 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.7 mtt -111.85 126.09 54.72 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.03 94.19 4.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.067 0.46 . . . . 0.0 110.855 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.45 107.0 17.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.835 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -78.24 81.48 4.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.923 0.868 . . . . 0.0 110.922 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.86 114.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.822 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -89.49 87.78 7.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.448 0.642 . . . . 0.0 110.663 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.0 72.29 0.29 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.684 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -122.36 149.84 55.92 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.262 -0.274 . . . . 0.0 110.262 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.02 -175.57 1.99 Allowed 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.885 2.39 . . . . 0.0 112.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 m -68.46 115.11 7.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -81.74 173.08 12.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.218 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -90.17 11.01 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.391 0.615 . . . . 0.0 111.028 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.65 125.37 29.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.908 176.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.9 119.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.779 0.8 . . . . 0.0 111.523 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -77.13 134.06 38.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.131 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -74.71 11.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.897 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.849 HH21 ' HD2' ' A' ' 62' ' ' ASP . 21.7 ptt180 -70.85 -13.71 62.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.194 0.521 . . . . 0.0 110.008 177.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.59 -21.52 32.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.57 HD12 HG12 ' A' ' 85' ' ' ILE . 49.9 mm -69.82 119.21 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.529 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.82 55.46 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.605 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.19 175.71 5.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.936 0.398 . . . . 0.0 110.514 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.683 ' HZ3' ' HE2' ' A' ' 79' ' ' GLU . 37.2 ttpt -99.07 146.71 25.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.614 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.05 172.7 21.32 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 p -122.52 143.77 34.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.692 0.282 . . . . 0.0 110.263 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' HA ' HG12 ' A' ' 59' ' ' VAL . 43.2 t -84.33 119.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.745 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 7.3 mmt -95.7 -33.76 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.018 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 29.1 tt0 -131.11 137.23 48.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.57 136.84 31.71 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.753 0.658 . . . . 0.0 112.063 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.564 HG12 ' HA3' ' A' ' 57' ' ' GLY . 61.9 mt -115.0 132.92 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.232 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 p -132.28 160.94 65.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.419 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.97 -24.49 57.53 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.004 2.47 . . . . 0.0 112.35 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.83 -57.65 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -105.15 118.04 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.733 0.302 . . . . 0.0 110.354 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -67.45 160.93 26.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.135 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.564 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -129.47 -167.24 12.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.429 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.43 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 67.8 mt -118.79 138.47 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 110.987 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 47' ' ' VAL . 17.8 m -129.74 151.53 35.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -98.42 116.82 31.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.4 t -132.72 119.32 37.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.028 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.849 ' HD2' HH21 ' A' ' 39' ' ' ARG . 6.2 t70 69.6 8.95 7.01 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.952 0.782 . . . . 0.0 111.026 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.95 -20.79 21.51 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.137 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.37 155.74 17.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 0.0 110.518 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -101.2 118.64 37.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -118.34 165.32 14.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.1 mpt_? -86.46 146.04 26.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.93 140.12 45.49 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 p -118.86 131.94 56.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.333 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 t -147.48 147.42 30.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.99 37.06 3.29 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.91 162.87 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 p -91.15 108.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.473 0.654 . . . . 0.0 110.037 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 80' ' ' VAL . 64.3 mt -107.19 122.27 46.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.407 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -82.85 165.7 19.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.287 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.67 133.75 31.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.185 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.44 -11.47 70.18 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.631 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.75 170.68 11.92 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.278 0.561 . . . . 0.0 111.599 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.683 ' HE2' ' HZ3' ' A' ' 44' ' ' LYS . 36.0 mt-10 -116.14 128.66 55.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.778 -178.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 74' ' ' LEU . 20.7 m -121.38 149.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.013 0.435 . . . . 0.0 111.737 -176.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 m -95.9 123.06 39.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.007 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.9 t -83.75 113.65 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -102.01 -37.51 8.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.47 163.56 39.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 111.485 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.57 HG12 HD12 ' A' ' 41' ' ' ILE . 27.0 mm -106.92 134.32 48.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.236 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -127.69 93.29 3.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.006 0.431 . . . . 0.0 110.319 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.63 -115.67 8.26 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.297 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.94 11.2 6.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 29.2 mtmt -121.4 156.84 31.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.278 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 mt -104.64 143.0 33.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.841 0.353 . . . . 0.0 110.074 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.55 105.0 16.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -125.35 154.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -174.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.9 165.96 24.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 95' ' ' LEU . 40.5 tttt -69.64 147.02 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.652 0.263 . . . . 0.0 110.694 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.3 mm? -67.92 -178.96 1.07 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.386 170.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 65.47 63.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.671 0.748 . . . . 0.0 109.432 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -79.28 94.37 5.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.61 0.719 . . . . 0.0 109.788 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.11 129.89 39.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.317 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.655 ' HZ1' ' HB3' ' A' ' 99' ' ' LYS . 9.3 mtpm? 56.82 63.19 2.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.243 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.07 79.19 1.48 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.256 -174.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.33 119.73 0.96 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.365 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -88.16 158.13 18.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 47.5 m -72.03 119.11 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 0.0 111.413 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -105.21 -67.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.554 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -93.33 132.58 37.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 4' ' ' SER . 5.8 m170 -137.05 114.8 11.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.045 174.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -74.77 135.2 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -119.11 115.11 23.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 0.0 110.178 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -80.05 132.33 35.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.654 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 p -119.34 144.1 47.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.73 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -103.34 112.05 24.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.77 -177.45 23.83 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.609 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 68.67 87.18 0.12 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.376 0.67 . . . . 0.0 110.273 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -111.28 161.38 16.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.086 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -153.44 101.46 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.03 6.87 17.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.698 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -107.67 119.54 39.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.972 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -162.57 97.6 0.98 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.238 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -142.57 138.97 31.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.128 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.39 126.54 1.11 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.146 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -160.71 133.2 6.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.7 ttm -167.85 97.97 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.934 0.397 . . . . 0.0 110.143 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.1 107.24 12.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.214 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.54 121.95 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.332 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -111.04 126.48 54.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.162 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.8 mt -91.55 105.44 16.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.051 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -88.91 137.53 32.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.146 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 35.67 0.18 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.358 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.51 153.78 41.13 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.55 168.91 16.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 111.688 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -88.2 -63.06 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.73 0.3 . . . . 0.0 111.136 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -107.9 -7.73 16.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.742 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -90.75 -0.28 57.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 0.0 110.503 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.65 148.96 26.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.687 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.21 -16.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.536 0.684 . . . . 0.0 109.834 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.6 t 63.84 177.86 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.731 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 40' ' ' LEU . 5.1 p-10 -126.08 -1.47 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.012 174.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 39' ' ' ARG . 7.8 mmt85 -81.68 20.7 0.9 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.673 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD23 HG11 ' A' ' 61' ' ' VAL . 59.3 mt -101.26 -20.12 15.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.479 175.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD12 HG13 ' A' ' 85' ' ' ILE . 50.1 mm -73.25 135.62 27.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.563 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.24 26.42 61.78 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.584 -0.734 . . . . 0.0 113.487 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 43' ' ' ARG . 45.9 mtp85 -125.79 160.3 30.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.952 0.376 . . . . 0.0 110.483 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -95.64 144.97 25.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.01 -179.95 18.35 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 60' ' ' LYS . 10.3 p -120.99 144.29 30.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.43 116.8 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.9 mmm -98.43 -24.0 15.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.254 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.61 149.66 41.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.91 123.23 13.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.85 0.719 . . . . 0.0 111.485 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.7 mt -105.48 119.29 54.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.992 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.47 166.37 14.79 Favored Pre-proline 0 N--CA 1.444 -0.759 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 22.6 Cg_exo -63.2 -35.09 65.8 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 111.856 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 53' ' ' PRO . 20.3 mp0 -83.03 -45.48 14.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.429 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -120.62 124.47 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.557 ' HG ' ' HD2' ' A' ' 89' ' ' LYS . 5.5 m -68.07 158.22 33.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.117 -176.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.1 -163.38 12.36 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.714 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.1 mt -120.28 137.1 54.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.651 0.263 . . . . 0.0 111.093 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 HD12 ' A' ' 51' ' ' ILE . 18.2 m -130.02 152.78 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.192 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HB3' HG12 ' A' ' 46' ' ' VAL . 38.7 ttmt -94.71 123.1 37.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.23 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG11 HD23 ' A' ' 40' ' ' LEU . 47.5 t -124.98 110.34 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.82 -80.27 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.074 0.859 . . . . 0.0 111.349 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.96 5.54 1.97 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.25 160.55 22.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -101.87 113.08 25.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.431 ' CD1' ' HB ' ' A' ' 61' ' ' VAL . 67.2 m95 -104.69 163.34 12.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.235 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 7.3 mpt_? -91.08 144.36 25.73 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB1' HG23 ' A' ' 92' ' ' VAL . . . -143.99 140.22 29.5 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.109 0.48 . . . . 0.0 111.462 -174.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 159.72 22.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.294 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -159.79 172.8 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.05 -3.85 55.62 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.31 166.62 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.35 115.64 29.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.05 0.453 . . . . 0.0 110.397 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.844 HD13 HG11 ' A' ' 80' ' ' VAL . 47.8 mt -105.48 126.27 51.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.397 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.44 165.46 12.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.483 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.6 t -73.54 116.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.401 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.69 -18.43 7.17 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.887 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -74.88 169.01 18.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.278 0.561 . . . . 0.0 111.575 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -121.47 135.18 55.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.556 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.844 HG11 HD13 ' A' ' 74' ' ' LEU . 30.6 m -129.19 156.35 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 -177.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 m -113.05 137.59 51.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.186 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.431 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -80.16 114.74 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.238 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -76.68 -53.6 7.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.516 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -158.75 179.92 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.692 -175.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 41' ' ' ILE . 54.7 mt -117.6 132.45 67.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -107.66 12.8 27.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.0 111.104 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.585 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 136.41 -113.94 1.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.06 -6.99 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.521 0.677 . . . . 0.0 109.858 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.557 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 45.4 mtmt -116.68 160.09 21.25 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.261 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 mt -107.83 147.95 30.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.028 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.9 100.57 10.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.512 HG23 ' HB1' ' A' ' 68' ' ' ALA . 29.1 m -117.82 156.29 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.863 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -138.98 157.04 46.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HA ' HG12 ' A' ' 80' ' ' VAL . 24.4 ttpp -69.74 143.08 53.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.292 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.88 147.25 5.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.462 0.476 . . . . 0.0 110.299 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.98 158.89 27.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.276 -172.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 128.58 36.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.6 -9.02 55.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.62 ' HB2' ' HZ3' ' A' ' 99' ' ' LYS . 4.1 ttmp? -162.5 38.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.581 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 57.65 -107.72 1.12 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.46 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.708 176.723 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.58 70.4 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.069 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -89.49 94.67 9.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.7 p -81.32 79.47 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.037 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -108.15 129.54 55.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.322 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -155.76 123.82 5.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.902 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -112.62 146.35 38.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.145 0.497 . . . . 0.0 111.252 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -140.26 113.54 8.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -68.7 111.04 4.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.463 . . . . 0.0 110.892 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -67.39 133.78 50.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.543 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 p -55.23 127.66 30.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.798 0.333 . . . . 0.0 110.356 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -140.42 150.19 43.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.39 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.46 -147.76 19.06 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -152.31 93.51 1.81 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.775 0.322 . . . . 0.0 110.133 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -141.28 106.68 5.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 66.12 -168.14 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -81.05 154.72 26.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -74.22 94.96 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 0.0 111.27 -177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.71 94.46 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.519 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -89.03 -176.86 5.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.02 -165.59 38.17 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.258 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -91.43 139.79 30.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.769 0.319 . . . . 0.0 110.535 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.02 0.29 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.26 122.53 23.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.97 6.42 35.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.389 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -145.8 168.46 20.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.818 HG22 ' H ' ' A' ' 28' ' ' THR . 19.5 mm 63.36 -176.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -176.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.818 ' H ' HG22 ' A' ' 27' ' ' ILE . 11.2 m 74.98 -52.98 0.67 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.85 0.46 . . . . 0.0 111.537 177.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.56 89.19 0.18 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.147 -0.549 . . . . 0.0 111.826 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.14 153.09 55.33 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.474 0.178 . . . . 0.0 110.654 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.61 -4.63 15.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.99 2.46 . . . . 0.0 113.112 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -67.04 161.24 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.191 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -82.96 131.68 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.786 0.327 . . . . 0.0 110.813 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -119.07 -177.54 3.36 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 70.96 -173.38 0.17 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 124.091 0.869 . . . . 0.0 112.506 173.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.5 141.69 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.499 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -114.29 -177.81 3.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -92.11 6.68 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -170.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.654 ' NE ' ' HA ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -78.25 -9.12 59.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.417 178.602 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.46 -16.55 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.519 . . . . 0.0 109.718 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 HD11 HG12 ' A' ' 82' ' ' VAL . 47.7 mm -76.17 124.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.25 57.6 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.632 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 43' ' ' ARG . 34.2 mtt180 -114.57 170.75 8.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.644 ' HZ1' ' HE2' ' A' ' 79' ' ' GLU . 27.3 ttmt -89.26 144.84 25.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.166 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.45 144.47 16.29 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.72 143.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 117.49 0.645 . . . . 0.0 110.577 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.508 ' HA ' HG12 ' A' ' 59' ' ' VAL . 49.8 t -85.72 111.71 21.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.95 -176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 80.5 mtp -90.97 -37.59 13.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.286 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -123.63 140.85 52.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.689 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.29 116.97 3.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.691 0.619 . . . . 0.0 112.189 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 HD13 HD12 ' A' ' 74' ' ' LEU . 66.8 mt -85.67 139.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.569 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 p -150.98 162.58 26.44 Favored Pre-proline 0 C--N 1.322 -0.626 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.323 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.71 -16.19 49.63 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.62 2.213 . . . . 0.0 111.218 171.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -70.15 -48.62 56.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.992 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -163.77 166.65 21.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.745 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.93 154.56 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.842 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.535 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -112.76 -174.62 19.3 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 93.5 mt -120.22 124.41 45.6 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.844 0.322 . . . . 0.0 110.605 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 47' ' ' VAL . 25.9 m -121.26 143.74 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 38.8 ttpt -94.39 114.31 26.33 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' A' ' 63' ' ' GLY . 21.3 t -97.5 81.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t70 72.95 -32.56 0.25 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.455 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 61' ' ' VAL . . . -146.48 -54.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.1 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.35 164.82 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.564 -0.374 . . . . 0.0 111.055 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -98.05 138.33 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.292 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -132.75 165.18 25.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.495 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.518 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 6.5 mpt_? -79.7 145.73 32.8 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.45 140.73 39.38 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.129 0.49 . . . . 0.0 111.549 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.5 p -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.393 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 p -151.83 169.4 22.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.073 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.91 27.44 16.36 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.159 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 73' ' ' VAL . 1.3 m -147.2 171.57 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.454 ' H ' HG23 ' A' ' 72' ' ' THR . 9.7 p -94.57 131.92 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 51' ' ' ILE . 69.5 mt -121.86 144.0 49.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.954 -175.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -101.22 161.59 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.056 0.455 . . . . 0.0 111.279 -176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.84 128.85 34.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.752 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.06 -5.41 53.04 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.226 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.19 171.65 14.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.095 0.474 . . . . 0.0 111.147 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.644 ' HE2' ' HZ1' ' A' ' 44' ' ' LYS . 33.7 mt-10 -124.34 132.54 53.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.614 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.0 m -123.65 153.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 111.583 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -100.45 126.79 46.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.621 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.576 ' HA ' HG12 ' A' ' 92' ' ' VAL . 25.7 t -79.16 112.87 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.866 0.365 . . . . 0.0 110.192 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -95.95 -43.66 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.148 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.72 -179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.758 0.314 . . . . 0.0 111.517 -175.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.17 134.96 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 83.87 2.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.41 -110.72 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.758 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.21 0.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.882 0.848 . . . . 0.0 109.794 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . 40.5 mtmt -101.18 161.45 13.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.742 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.7 147.13 37.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.954 0.407 . . . . 0.0 109.961 174.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 60.8 t -97.53 112.67 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -123.6 163.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.121 0.486 . . . . 0.0 111.792 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -131.68 159.19 39.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.51 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 62.6 tttm -86.76 137.12 32.69 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.857 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 10.3 mp -72.9 140.05 47.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 168.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -148.81 104.22 3.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.979 0.419 . . . . 0.0 111.275 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.86 -18.04 28.43 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 109.399 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -95.8 87.63 4.71 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.001 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -106.48 21.66 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.64 -171.67 21.26 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.473 178.657 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.19 110.27 3.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.472 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -79.33 140.79 37.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.433 . . . . 0.0 110.863 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -146.27 95.2 2.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.451 0.643 . . . . 0.0 109.628 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -127.82 101.1 6.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 -174.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.68 143.07 46.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 142.07 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.812 0.339 . . . . 0.0 111.367 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -153.38 123.9 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 175.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.97 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -96.79 87.68 4.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.742 -172.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.8 m -159.01 122.59 3.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.559 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -127.67 150.92 49.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.557 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.65 156.42 11.96 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.672 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -105.66 -86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.021 0.41 . . . . 0.0 110.517 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 55.04 84.76 0.07 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.249 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -114.44 -172.62 2.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.343 175.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.95 113.88 20.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -73.21 106.77 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -88.08 139.4 30.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.154 -168.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.478 ' HG2' ' H ' ' A' ' 22' ' ' HIS . 31.1 tt0 -158.03 139.65 13.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.15 171.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -25.34 75.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.868 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' H ' ' HG2' ' A' ' 20' ' ' GLN . 51.8 t-80 71.69 122.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.222 0.609 . . . . 0.0 110.62 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.0 ttm -60.36 132.54 54.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.4 156.89 30.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.789 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.86 152.8 18.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.116 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 5.4 mmp_? -113.89 162.38 16.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 pt -84.34 117.17 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.083 0.468 . . . . 0.0 110.449 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -91.01 -174.63 4.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.24 107.2 1.86 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.392 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.28 87.24 15.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.855 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.518 ' HD2' ' HE2' ' A' ' 33' ' ' LYS . 22.8 Cg_exo -65.64 179.55 1.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.585 2.19 . . . . 0.0 111.584 176.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m -61.31 -42.8 99.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HE2' ' HD2' ' A' ' 31' ' ' PRO . 74.3 mmtt 58.77 -164.58 0.2 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.157 0.503 . . . . 0.0 111.21 176.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.794 ' HE3' ' HA ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -115.02 85.57 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.601 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.29 122.95 27.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.205 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.31 130.57 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.59 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m -108.58 134.34 51.48 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -176.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.64 -14.96 61.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.418 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -76.09 -4.01 39.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' HB2' HD12 ' A' ' 85' ' ' ILE . 96.7 mt -78.83 -13.51 59.76 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.67 99.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.26 0.553 . . . . 0.0 110.148 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.25 2.85 26.25 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.195 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 43' ' ' ARG . 22.0 mmt180 -80.51 166.84 20.8 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 111.05 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 32.9 mtpt -85.89 167.06 15.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.027 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.64 138.73 5.66 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 173.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 13.4 p -102.89 143.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.02 107.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.939 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.1 mmm -87.8 -35.06 18.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.717 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.7 139.69 52.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.31 126.34 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.899 0.749 . . . . 0.0 112.036 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.763 HD13 HD12 ' A' ' 74' ' ' LEU . 74.8 mt -87.17 123.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.678 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -133.37 161.15 65.53 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.854 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.14 -29.05 81.92 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.949 2.433 . . . . 0.0 112.091 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.41 -59.38 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.02 120.23 41.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.753 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 143.61 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.557 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -92.01 174.75 37.62 Favored Glycine 0 C--N 1.315 -0.638 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.277 -172.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -109.7 121.0 44.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 14.8 m -108.67 134.02 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.92 107.77 20.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.4 108.95 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 62.76 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.9 -174.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.33 5.41 3.24 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.908 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.598 ' HE2' ' HZ3' ' A' ' 34' ' ' LYS . 44.7 mt-10 -119.79 141.26 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -99.88 133.11 44.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.594 0.711 . . . . 0.0 111.085 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.09 165.1 14.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.268 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.573 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 3.2 mpt_? -93.23 143.98 25.73 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 92' ' ' VAL . . . -130.95 140.1 50.12 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.124 0.488 . . . . 0.0 112.132 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -117.61 130.02 56.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.794 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -142.94 162.41 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.57 -20.93 49.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.111 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.73 150.43 22.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.484 0.183 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 52.7 t -81.61 104.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.208 0.528 . . . . 0.0 109.691 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 51' ' ' ILE . 92.5 mt -95.19 132.12 40.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.009 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.41 162.45 21.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.339 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.25 122.5 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.86 -11.87 27.31 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.908 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.63 167.38 20.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.107 0.48 . . . . 0.0 111.362 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -123.88 141.17 52.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.213 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.15 176.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.158 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -130.89 140.75 50.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.123 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.585 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -81.42 121.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -176.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.64 -48.85 6.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.677 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.97 166.1 25.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 40' ' ' LEU . 45.0 mt -129.64 127.05 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -129.68 95.33 3.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.382 0.61 . . . . 0.0 111.034 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.18 -108.98 2.67 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.896 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.468 ' HB ' HH11 ' A' ' 67' ' ' ARG . 28.3 m -104.99 2.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -115.31 143.21 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.433 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.91 140.92 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.708 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.9 107.1 18.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -127.62 165.69 26.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.92 164.64 36.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.774 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.54 130.5 43.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.554 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.94 149.87 49.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.616 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.53 118.3 10.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.453 0.644 . . . . 0.0 111.213 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.53 126.8 41.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.407 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -84.94 55.01 3.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.642 0.734 . . . . 0.0 109.275 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -44.64 6.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.759 -1.109 . . . . 0.0 108.954 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.29 -86.49 0.29 Allowed Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.424 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.263 178.073 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttp . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.063 0.459 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -125.53 -22.27 1.87 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -80.76 148.45 30.07 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t -132.87 98.37 4.29 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -78.32 77.35 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.011 0.91 . . . . 0.0 109.749 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -140.55 51.83 1.65 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.126 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -85.51 115.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.248 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -117.34 -8.97 11.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.768 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -89.61 111.12 21.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.552 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -79.9 -75.51 0.25 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 p -100.66 89.41 3.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.535 0.683 . . . . 0.0 110.276 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 m -139.15 86.54 2.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.264 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.93 81.23 0.34 Allowed Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.435 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -82.83 82.24 8.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 0.0 110.362 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.59 123.73 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.957 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.63 104.67 5.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.967 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 pp -85.5 162.83 18.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.975 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -85.92 147.98 25.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.097 0.475 . . . . 0.0 111.282 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -109.42 126.62 53.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.535 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -122.16 107.61 12.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.858 0.361 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.86 13.03 68.6 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -96.1 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.27 155.71 16.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.55 105.68 5.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.37 91.03 5.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.301 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -144.32 118.9 9.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.59 99.03 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.59 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 m -108.0 -51.43 2.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.089 0.471 . . . . 0.0 110.381 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.13 38.7 0.46 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -125.79 86.13 58.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.239 . . . . 0.0 110.509 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.48 152.64 49.18 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.008 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 m -63.99 136.86 57.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.576 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -74.24 92.95 2.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.828 0.823 . . . . 0.0 111.043 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HG2' ' H ' ' A' ' 35' ' ' ALA . 40.2 ttmt -153.4 173.04 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.711 -1.131 . . . . 0.0 107.97 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' H ' ' HG2' ' A' ' 34' ' ' LYS . . . 71.05 104.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.628 0.58 . . . . 0.0 111.612 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.26 122.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.907 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.4 m -111.85 178.18 4.4 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.866 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.57 15.43 0.62 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 39' ' ' ARG . 8.5 mmp_? -69.06 -14.53 63.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.079 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.62 -7.16 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 HG13 ' A' ' 85' ' ' ILE . 49.4 mm -83.39 125.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.41 . . . . 0.0 111.176 -174.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 12.04 74.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.811 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -101.84 164.45 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 111.207 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 5.8 tmmm? -87.17 144.83 26.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.225 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -139.51 169.89 24.39 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -124.48 143.81 36.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.55 118.19 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.935 0.398 . . . . 0.0 111.032 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mmt -102.97 -23.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.1 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.3 tp10 -136.84 145.06 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.87 125.76 21.51 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.672 0.607 . . . . 0.0 112.049 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 71.0 mt -105.46 129.9 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.217 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.4 p -134.89 163.02 54.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.843 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.21 -22.21 72.51 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.622 2.215 . . . . 0.0 111.327 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -83.08 -59.48 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.743 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -123.6 132.26 53.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.021 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -62.34 155.94 23.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.053 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 67' ' ' ARG . . . -112.56 -157.33 13.19 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.1 mt -125.41 128.82 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.407 . . . . 0.0 110.828 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.42 144.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -93.19 107.01 18.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.0 t -98.38 103.89 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.15 -73.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.192 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -0.55 0.66 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.472 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -120.22 153.88 35.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.369 0.584 . . . . 0.0 110.728 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -102.24 125.84 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -127.1 156.84 41.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.763 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 4.4 mpt_? -72.47 143.18 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.63 142.64 30.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.157 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -120.33 164.0 16.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -162.23 178.9 8.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.09 -8.02 67.27 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.236 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -119.5 164.73 15.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.72 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 21.6 t -92.75 95.39 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.182 0.515 . . . . 0.0 109.629 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 73.2 mt -86.45 129.81 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.12 164.75 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.12 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.41 130.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.645 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 -10.53 39.59 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.893 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.03 164.28 25.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.513 0.673 . . . . 0.0 112.1 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -107.16 135.2 49.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.732 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.83 163.35 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.022 0.439 . . . . 0.0 111.307 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -124.31 133.26 53.51 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.458 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.7 t -80.24 115.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.279 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.44 -53.91 7.08 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' HA ' HD13 ' A' ' 41' ' ' ILE . . . -161.73 174.92 12.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.51 HG13 HD12 ' A' ' 41' ' ' ILE . 61.0 mt -105.09 138.12 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.232 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -121.85 79.34 1.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.942 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.95 -104.33 1.08 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.424 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 -4.41 9.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.575 0.702 . . . . 0.0 110.163 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -108.92 166.4 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -119.82 151.37 38.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -106.84 112.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -119.65 163.2 17.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.507 . . . . 0.0 111.834 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -110.68 176.65 4.95 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.808 ' HZ3' ' HE2' ' A' ' 96' ' ' GLU . 56.7 tttm -93.85 122.63 36.53 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 171.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.5 tp -86.22 134.0 33.8 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.868 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.808 ' HE2' ' HZ3' ' A' ' 94' ' ' LYS . 3.0 tp10 -144.04 20.58 1.77 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.134 -177.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.95 13.61 8.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.624 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.95 125.81 25.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.278 0.561 . . . . 0.0 111.48 -176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -120.01 29.23 7.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.295 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.66 -75.69 0.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--O 1.249 1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 172.139 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.56 172.12 48.66 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.106 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -166.19 163.84 17.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -141.17 103.32 4.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.071 0.462 . . . . 0.0 109.937 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -92.31 81.97 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.72 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -103.96 127.33 51.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.159 -174.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.467 ' HB2' ' H ' ' A' ' 8' ' ' HIS . 7.7 p-80 -133.4 -154.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.467 ' H ' ' HB2' ' A' ' 7' ' ' HIS . 28.2 t60 72.09 79.25 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.292 0.567 . . . . 0.0 110.751 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.789 ' HD2' ' HG ' ' A' ' 12' ' ' SER . 16.2 m80 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.269 174.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -128.99 89.15 2.82 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.406 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 t 58.86 62.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.115 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.789 ' HG ' ' HD2' ' A' ' 9' ' ' HIS . 15.8 m -82.24 105.34 13.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.863 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.4 111.89 1.87 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.739 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.546 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.3 mmp_? -111.7 158.98 18.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 58.97 -165.9 0.18 Allowed 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.859 0.724 . . . . 0.0 110.79 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -123.57 96.78 5.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 110.343 176.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -91.63 -179.32 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.424 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.616 ' HH ' ' HA ' ' A' ' 22' ' ' HIS . 21.4 t80 -81.89 78.4 8.6 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.567 0.698 . . . . 0.0 110.07 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -109.57 10.62 25.04 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -91.28 169.91 10.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.344 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.09 172.89 39.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.358 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.616 ' HA ' ' HH ' ' A' ' 18' ' ' TYR . 41.4 m80 -85.72 131.97 34.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.717 0.294 . . . . 0.0 110.483 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtt -99.41 142.28 31.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.248 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 70.18 135.89 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 O-C-N 124.234 0.958 . . . . 0.0 111.935 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.58 14.91 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -141.24 145.2 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.03 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.3 pt -80.28 63.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.126 0.489 . . . . 0.0 111.229 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 28' ' ' THR . 11.5 m 65.77 12.32 8.23 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.669 0.747 . . . . 0.0 111.016 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.66 -174.42 42.07 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.246 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.837 ' HE2' ' NZ ' ' A' ' 33' ' ' LYS . 10.0 pt-20 -99.17 157.1 34.66 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.621 0.248 . . . . 0.0 110.439 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.77 -4.75 11.72 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.099 2.533 . . . . 0.0 112.751 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.6 m 71.62 166.7 0.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.42 0.688 . . . . 0.0 111.27 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.837 ' NZ ' ' HE2' ' A' ' 30' ' ' GLU . 13.3 mptt -80.18 122.81 27.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 0.0 111.187 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.71 88.27 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.96 33.06 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.311 -174.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.82 131.89 35.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 m -100.92 -12.78 18.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.003 -174.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.86 15.85 4.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -91.71 -5.26 53.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.995 0.426 . . . . 0.0 110.668 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 61' ' ' VAL . 40.4 mt -84.19 -20.61 32.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HD11 HG12 ' A' ' 82' ' ' VAL . 48.8 mm -61.26 122.7 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.326 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.7 -15.51 58.39 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.898 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -102.54 176.31 5.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 111.357 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -88.65 148.03 24.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.472 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.99 155.9 21.69 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 171.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.46 142.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 117.322 0.561 . . . . 0.0 110.683 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.69 110.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.564 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 83.3 mtp -94.11 -30.58 14.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.8 tp10 -125.9 137.72 53.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.642 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.04 117.45 4.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.965 0.79 . . . . 0.0 112.212 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.551 HD13 HD12 ' A' ' 74' ' ' LEU . 70.7 mt -81.2 104.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.408 176.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -108.4 155.19 40.8 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-O 120.841 0.353 . . . . 0.0 110.803 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HD3' ' HB ' ' A' ' 73' ' ' VAL . 35.5 Cg_exo -60.53 -22.32 71.68 Favored 'Trans proline' 0 CA--C 1.526 0.083 0 C-N-CA 122.964 2.443 . . . . 0.0 112.145 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -94.33 -27.86 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.547 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -146.98 131.45 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -63.03 153.76 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.089 0.471 . . . . 0.0 111.273 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.512 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.58 -179.94 22.15 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.304 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.7 mt -117.43 126.27 52.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.712 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.32 142.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 54.7 tttp -101.99 114.55 28.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.275 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 40' ' ' LEU . 2.4 t -132.57 143.02 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.49 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.731 0.644 . . . . 0.0 110.489 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.25 7.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 68.1 mm-40 -113.56 164.96 12.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.664 0.269 . . . . 0.0 110.796 -176.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -109.95 109.72 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.421 0.629 . . . . 0.0 109.379 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 79.8 m95 -104.22 155.93 18.32 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.383 -173.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.89 135.92 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.3 142.1 51.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.085 0.469 . . . . 0.0 111.573 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.4 p -131.14 148.12 52.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.873 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -152.37 175.89 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.64 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.69 24.14 30.87 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.959 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 73' ' ' VAL . 1.9 m -151.22 172.17 16.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.51 ' H ' HG23 ' A' ' 72' ' ' THR . 7.7 p -96.21 126.25 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.326 0.584 . . . . 0.0 110.742 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD12 HD13 ' A' ' 51' ' ' ILE . 49.8 mt -117.1 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.77 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.18 -179.28 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.145 0.498 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -83.1 138.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.075 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.96 3.14 70.68 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.91 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.07 173.63 12.39 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.23 0.538 . . . . 0.0 110.759 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.77 143.41 50.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.34 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 94' ' ' LYS . 34.8 m -130.96 167.29 26.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.177 0.513 . . . . 0.0 111.765 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 m -110.26 126.27 54.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.256 173.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.567 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -79.78 113.09 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 25.3 mmtp -95.53 -46.34 6.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.959 -176.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.83 173.89 14.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.77 -174.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -117.76 132.76 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.576 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.49 104.59 6.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.52 -121.32 9.75 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.54 10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.202 0.525 . . . . 0.0 110.215 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -113.84 151.6 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.389 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -89.52 143.1 27.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.166 0.508 . . . . 0.0 110.443 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -97.37 102.9 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 82' ' ' VAL . 26.8 m -122.25 165.4 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.05 146.78 37.61 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.379 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.601 ' HA ' HG12 ' A' ' 80' ' ' VAL . 27.5 ttpt -67.99 141.72 56.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.57 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.67 163.57 7.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.646 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.38 117.63 4.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.382 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -68.22 102.42 1.36 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -58.65 114.21 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.161 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.91 106.29 14.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.685 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.59 -172.19 13.08 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.985 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.848 178.621 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.681 0.277 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.99 105.43 1.1 Allowed Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -74.16 -45.71 46.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -78.73 -24.51 44.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.137 0.494 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -155.59 96.89 1.81 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.298 0.57 . . . . 0.0 110.749 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -79.78 -29.52 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 178.91 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -118.88 63.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 172.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.3 m80 61.55 -84.78 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.216 -166.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.6 -99.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.8 t -176.91 153.92 1.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -80.28 102.63 9.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.49 11.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.044 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -77.23 82.32 3.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.948 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -138.48 19.13 2.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.74 0.781 . . . . 0.0 109.436 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.18 97.46 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.894 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.32 20.77 14.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.743 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -121.36 86.47 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 0.0 111.244 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -136.34 20.42 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.05 0.929 . . . . 0.0 108.494 170.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -76.98 109.02 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.116 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.16 111.46 3.49 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.652 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -143.14 96.21 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.07 0.462 . . . . 0.0 110.143 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.99 120.96 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.42 169.76 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.382 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.62 46.38 5.48 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.689 0.618 . . . . 0.0 111.011 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 24.0 tpt180 -145.94 124.88 12.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.996 178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.8 mt -96.04 114.74 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -98.28 134.61 41.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.988 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.67 -50.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.543 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -117.46 85.83 21.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.588 0.232 . . . . 0.0 110.504 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -95.27 162.18 1.59 Allowed 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.139 2.559 . . . . 0.0 112.867 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -76.72 -41.24 45.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.379 0.609 . . . . 0.0 109.966 175.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.59 151.0 25.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.935 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -57.15 140.15 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.097 0.475 . . . . 0.0 111.532 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.66 -173.41 2.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.716 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.458 HG22 HD22 ' A' ' 90' ' ' LEU . 8.3 p -96.62 -13.27 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.103 0.478 . . . . 0.0 110.507 179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m 65.73 128.36 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.84 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.08 -4.41 47.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.262 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -70.14 -18.85 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.072 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.64 -21.22 62.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.684 HD12 HG13 ' A' ' 85' ' ' ILE . 50.3 mm -69.17 118.42 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.373 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.51 6.39 56.49 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.284 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 43' ' ' ARG . 9.6 mmp_? -105.67 158.61 16.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.055 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -87.71 155.98 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.908 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.19 162.16 29.14 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 9.9 p -112.53 143.65 21.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.6 t -87.51 116.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.064 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE3' ' HA ' ' A' ' 48' ' ' MET . 11.4 mmt -100.61 -24.63 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.1 tp10 -130.67 133.81 46.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 130.7 43.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.937 0.773 . . . . 0.0 112.055 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 55.9 mt -104.67 111.72 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.354 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 p -109.98 162.63 19.63 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.062 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.01 -20.96 56.16 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.828 2.352 . . . . 0.0 112.119 175.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -94.35 -60.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -113.72 144.27 43.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.442 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 44.3 m -74.86 174.23 9.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.497 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -131.85 -157.57 8.74 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 67' ' ' ARG . 95.9 mt -129.58 132.88 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.465 0.174 . . . . 0.0 110.549 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.91 147.59 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.044 0.45 . . . . 0.0 110.706 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 64' ' ' GLU . 86.7 tttt -112.5 119.59 38.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.865 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.25 87.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 44.95 72.9 0.18 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.789 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.84 -47.99 1.65 Allowed Glycine 0 C--N 1.318 -0.428 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.936 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 25.1 mm-40 -78.75 134.17 37.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.668 0.234 . . . . 0.0 110.693 -174.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -118.65 112.0 19.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.11 157.25 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.752 -175.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.525 ' HB3' ' HG2' ' A' ' 89' ' ' LYS . 5.6 mpt_? -73.85 135.3 43.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -137.31 140.27 41.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.334 0.588 . . . . 0.0 112.072 -175.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.8 m -115.4 164.29 14.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.783 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.3 t -160.55 162.37 32.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.764 ' H ' ' HE2' ' A' ' 93' ' ' GLU . . . -99.62 4.71 58.16 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 166.56 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.2 t -90.11 114.71 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.833 HD13 HG11 ' A' ' 80' ' ' VAL . 49.7 mt -120.11 122.81 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.007 0.432 . . . . 0.0 110.983 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.9 177.41 6.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.562 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.39 133.97 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.923 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.92 -4.51 61.14 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.127 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.22 171.66 14.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.197 0.522 . . . . 0.0 111.8 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -122.07 135.17 54.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.239 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.833 HG11 HD13 ' A' ' 74' ' ' LEU . 27.8 m -134.71 -176.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -138.46 141.76 39.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.494 HG23 HG12 ' A' ' 92' ' ' VAL . 26.2 t -85.14 114.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.107 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -105.12 -28.87 10.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.445 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.37 175.68 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.45 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.684 HG13 HD12 ' A' ' 41' ' ' ILE . 46.8 mt -128.91 139.13 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.066 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.17 98.88 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.05 0.453 . . . . 0.0 110.297 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.9 -119.3 7.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.043 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.48 1.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.589 0.709 . . . . 0.0 109.971 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.525 ' HG2' ' HB3' ' A' ' 67' ' ' ARG . 33.4 mtmm -112.52 157.42 21.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.924 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 HD22 HG22 ' A' ' 36' ' ' VAL . 96.0 mt -101.04 150.8 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.741 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 58.6 t -101.14 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 HG23 ' A' ' 82' ' ' VAL . 32.9 m -109.56 161.72 7.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.764 ' HE2' ' H ' ' A' ' 71' ' ' GLY . 9.7 mm-40 -145.43 169.35 18.5 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.37 124.74 23.99 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.437 0.637 . . . . 0.0 110.196 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.2 145.27 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.704 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -78.49 95.76 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.73 0.776 . . . . 0.0 109.538 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -86.14 16.02 4.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.972 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.34 103.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.237 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.31 107.58 12.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.062 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 157.71 -148.7 18.56 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.066 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.468 178.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.96 0.409 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mm -82.05 121.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.419 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.12 36.93 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.72 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -113.99 174.06 6.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.961 0.41 . . . . 0.0 111.32 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.0 145.66 30.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.417 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 165.74 24.61 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.47 143.66 24.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 120.839 0.352 . . . . 0.0 110.238 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.09 120.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.3 mmt -103.05 -29.13 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -128.22 140.22 52.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.43 130.81 40.77 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.615 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.551 HG12 ' HA3' ' A' ' 57' ' ' GLY . 75.5 mt -105.02 130.76 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.555 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 53.6 p -127.9 165.05 32.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 43.2 Cg_endo -77.28 -14.2 16.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.252 1.968 . . . . 0.0 111.66 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.12 -33.76 14.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -143.41 124.82 14.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.979 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -65.02 152.57 43.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.368 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.551 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -106.65 -162.58 22.35 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.8 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 85.9 mt -122.57 123.03 40.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.96 148.16 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.18 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -101.59 101.83 12.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.02 0.438 . . . . 0.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.18 116.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.397 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 65.57 -84.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.942 0.776 . . . . 0.0 109.678 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.78 5.2 1.5 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.017 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 24.6 mm-40 -106.76 142.47 36.34 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 -176.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -92.56 115.13 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.489 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 95.2 m95 -114.97 151.41 34.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.71 131.74 40.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.0 140.08 47.58 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.73 159.74 23.12 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -157.62 168.05 28.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.47 -11.43 66.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.866 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.62 167.87 11.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.42 119.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 94' ' ' LYS . 46.2 mt -110.44 132.82 53.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.328 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -95.27 174.88 6.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.95 0.405 . . . . 0.0 110.127 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.46 141.21 15.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.85 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.55 66.12 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.166 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 69.6 mm-40 -76.67 167.21 22.24 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.386 0.613 . . . . 0.0 111.685 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.97 128.07 55.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.235 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 94' ' ' LYS . 31.6 m -124.47 157.08 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -107.17 127.44 53.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.841 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 31.6 t -82.27 110.0 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.1 -41.91 12.02 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.44 177.88 10.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.56 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 87' ' ' GLY . 21.6 mt -120.16 122.4 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.34 5.91 49.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 0.0 111.066 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 142.08 -107.41 0.49 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.542 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.01 1.03 10.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 109.644 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.73 158.63 27.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.821 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.24 147.97 28.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.171 0.51 . . . . 0.0 110.401 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.26 107.58 20.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.043 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.8 m -125.63 153.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.94 155.03 50.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HB2' HD22 ' A' ' 74' ' ' LEU . 15.8 ttpp -83.79 141.33 31.47 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 -170.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.456 172.142 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.757 0.313 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.17 120.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.949 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.72 68.28 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.207 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -111.68 158.7 18.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.969 0.385 . . . . 0.0 110.756 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -92.07 148.08 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.65 174.89 22.8 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.99 145.02 22.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.769 0.284 . . . . 0.0 110.525 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.22 121.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.595 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.2 mtp -101.18 -30.96 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 27.6 tt0 -131.33 140.99 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.327 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.25 123.61 13.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.458 0.647 . . . . 0.0 112.509 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 79.1 mt -92.83 124.9 45.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.78 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 19.2 p -105.99 165.82 12.37 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.278 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 38.2 Cg_endo -80.42 -6.2 13.62 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.161 1.907 . . . . 0.0 110.899 174.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -92.94 -55.68 3.26 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.861 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -119.4 -169.17 1.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -173.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -100.65 151.19 21.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.225 0.536 . . . . 0.0 111.072 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -111.16 179.03 19.82 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 173.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 86.9 mt -111.58 119.73 39.7 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.304 0.552 . . . . 0.0 111.103 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' THR . 29.0 m -114.52 160.38 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.118 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -123.94 121.28 34.89 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.0 t -123.44 119.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.705 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 67.67 -64.88 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.854 0.721 . . . . 0.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.43 -24.74 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.84 151.67 19.19 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.199 0.5 . . . . 0.0 110.304 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.2 t -100.63 127.79 46.9 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.795 0.807 . . . . 0.0 109.766 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -118.77 163.31 17.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.069 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -86.38 140.7 29.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.63 140.17 46.93 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.107 0.48 . . . . 0.0 111.943 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 p -124.5 144.44 50.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.076 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -151.22 -172.94 4.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.07 -1.57 33.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.018 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.39 166.23 19.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 61.9 t -87.67 99.1 8.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.076 0.465 . . . . 0.0 110.029 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -93.05 114.99 27.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.422 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -94.3 179.41 5.31 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -171.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.07 129.79 34.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.845 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.37 -8.56 38.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.39 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -84.92 175.89 8.81 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -126.75 143.96 51.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.4 m -124.08 158.99 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.459 -177.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.538 ' HB2' HD23 ' A' ' 95' ' ' LEU . 18.1 t -119.66 127.72 53.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.91 114.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.437 . . . . 0.0 111.185 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -81.21 -48.66 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.037 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.99 177.2 9.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.572 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -108.31 134.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.797 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.92 82.56 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.62 -113.44 4.23 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.042 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.44 -1.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.93 0.872 . . . . 0.0 109.319 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -109.05 162.53 14.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.311 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.4 mt -116.9 147.0 42.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.79 108.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 27.7 m -119.87 148.86 22.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.345 0.593 . . . . 0.0 112.36 -171.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -117.31 166.3 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -82.4 126.79 32.59 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.846 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 85' ' ' ILE . 97.3 mt . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 84' ' ' ALA . 48.1 mm -69.17 115.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.678 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -4.22 55.72 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.492 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' HH11 ' A' ' 43' ' ' ARG . 13.6 mmt180 -75.15 156.26 36.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.234 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 30.5 mtpt -96.31 152.27 18.74 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.25 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.18 170.5 27.3 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.6 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -122.84 144.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 59' ' ' VAL . 51.8 t -84.69 112.98 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.909 0.385 . . . . 0.0 111.094 -177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.4 mmm -96.19 -34.14 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.472 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -122.98 132.99 54.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.08 134.23 56.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.643 0.589 . . . . 0.0 112.3 -171.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.532 HG12 ' HA3' ' A' ' 57' ' ' GLY . 70.4 mt -111.49 138.27 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.927 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -126.5 165.85 25.57 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.78 1.98 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.789 2.326 . . . . 0.0 112.775 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -130.86 -51.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -99.21 132.08 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.324 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 m -74.33 164.87 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -135.15 -162.38 9.72 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.041 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.6 mt -130.05 131.36 45.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.684 0.278 . . . . 0.0 110.56 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 47' ' ' VAL . 34.7 m -125.63 154.84 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.832 176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 28.5 ttpp -106.01 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.75 122.73 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.078 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.27 -78.36 0.05 OUTLIER 'General case' 0 C--O 1.234 0.279 0 O-C-N 124.026 0.829 . . . . 0.0 111.23 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.8 -3.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.067 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.01 154.67 45.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 117.041 0.42 . . . . 0.0 110.86 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 10.5 t -97.85 135.22 39.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.09 0.471 . . . . 0.0 109.833 174.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -128.24 164.68 22.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.916 -176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.529 ' HA ' HD23 ' A' ' 58' ' ' LEU . 4.0 mpt_? -78.08 138.38 38.73 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.82 144.11 50.68 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.698 -174.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 149.28 48.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.005 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 m -155.85 148.25 23.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.016 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.28 7.92 76.4 Favored Glycine 0 CA--C 1.516 0.134 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.716 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.4 m -131.38 169.14 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 72' ' ' THR . 6.8 p -87.35 126.1 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.793 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 94' ' ' LYS . 66.2 mt -125.88 117.74 23.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.785 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -88.93 177.03 6.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.168 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.42 128.94 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.32 -10.6 39.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.257 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.84 171.68 8.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.284 0.564 . . . . 0.0 111.653 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -120.6 133.95 55.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.3 m -122.71 156.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.908 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.48 ' HB2' HD23 ' A' ' 95' ' ' LEU . 32.6 t -115.75 130.28 56.79 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HA ' HG12 ' A' ' 92' ' ' VAL . 45.9 t -69.5 104.86 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.263 0.554 . . . . 0.0 110.113 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -79.04 -42.26 26.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.955 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -162.68 171.91 16.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.683 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.2 mt -117.71 132.16 68.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -132.68 102.62 5.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.977 0.418 . . . . 0.0 111.043 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.55 -115.64 7.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.835 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.1 10.78 9.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.775 0.798 . . . . 0.0 110.144 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -117.07 162.4 17.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.256 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.1 mt -110.14 144.91 38.08 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.051 0.453 . . . . 0.0 109.865 173.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.7 t -102.47 109.81 27.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.6 m -122.09 153.92 26.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.055 0.455 . . . . 0.0 111.389 -173.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -119.19 162.66 18.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.712 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 74' ' ' LEU . 54.8 tttp -82.33 130.94 35.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.416 0.627 . . . . 0.0 110.712 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.122 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.699 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.1 mm -69.26 122.88 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.02 -1.82 71.1 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.928 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -95.32 165.81 12.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.928 0.394 . . . . 0.0 111.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -91.93 155.86 17.86 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.994 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.1 167.15 28.41 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.6 143.98 22.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 117.291 0.545 . . . . 0.0 110.489 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.34 113.17 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.428 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.3 mmm -91.22 -34.5 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.7 tp10 -132.06 146.77 52.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.38 135.75 57.75 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 111.237 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 65.9 mt -114.65 132.48 63.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -129.68 162.84 50.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.908 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.46 -42.54 64.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.496 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -84.39 -46.62 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -108.24 104.18 13.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.459 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 m -67.17 152.55 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -157.08 12.59 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.284 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 91.0 mt -124.85 133.27 53.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 m -129.1 150.46 34.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.963 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -110.08 118.21 35.81 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.89 110.01 29.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.71 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.894 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.43 -6.94 1.53 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.935 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.69 139.81 39.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.975 0.417 . . . . 0.0 110.57 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.3 m -97.95 123.19 41.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.1 165.8 16.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.773 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -90.34 152.15 21.15 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.363 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.0 140.91 25.9 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.835 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -119.76 164.5 15.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.252 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -166.1 170.4 13.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.01 -14.59 51.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.5 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.81 167.45 9.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.58 113.84 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.513 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 82.9 mt -102.04 131.42 48.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -99.87 170.99 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.418 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.33 131.84 32.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.94 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.54 -13.3 43.01 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.19 170.47 16.48 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.427 0.632 . . . . 0.0 111.666 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -117.64 141.87 47.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.554 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 22.7 m -124.28 160.4 28.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.012 0.434 . . . . 0.0 111.321 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -111.55 127.66 55.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.339 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -74.18 111.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -84.97 -51.44 6.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.079 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.19 168.62 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.449 . . . . 0.0 111.405 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 87' ' ' GLY . 12.5 mm -109.54 125.94 66.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.2 6.49 47.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.27 0.557 . . . . 0.0 110.678 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 122.13 -102.47 0.8 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.853 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.597 HG13 ' HG3' ' A' ' 89' ' ' LYS . 11.6 p -80.23 -15.79 12.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.204 0.526 . . . . 0.0 111.26 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HG13 ' A' ' 88' ' ' VAL . 34.3 mtmm -124.63 178.19 5.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.057 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -120.54 150.38 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.706 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -102.58 109.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.2 m -125.15 159.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.178 0.514 . . . . 0.0 111.359 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.67 162.67 29.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.128 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -70.83 131.19 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.364 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--N 1.322 -0.622 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.412 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 HD11 HG13 ' A' ' 85' ' ' ILE . 50.2 mm -82.11 128.36 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.004 -174.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.64 5.74 66.48 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.581 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -109.09 167.56 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.212 0.529 . . . . 0.0 111.614 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HE2' ' HG ' ' A' ' 95' ' ' LEU . 40.9 ttmt -91.2 143.88 26.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.304 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.0 172.74 19.58 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 p -124.17 142.93 39.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -87.32 111.15 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.75 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.551 ' HG3' ' HB2' ' A' ' 60' ' ' LYS . 26.9 mmt -91.57 -37.79 12.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 40.9 tt0 -120.43 133.21 55.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.086 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.43 33.7 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.884 0.74 . . . . 0.0 111.691 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 59.0 mt -109.04 137.46 40.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.941 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -135.97 165.22 37.45 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.698 0.285 . . . . 0.0 110.642 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.17 -10.47 27.39 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.949 2.432 . . . . 0.0 111.773 172.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -102.84 -51.26 3.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.096 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -122.62 135.66 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -74.04 157.32 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.005 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.55 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.94 -156.97 10.1 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ARG . 93.5 mt -132.16 138.76 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.09 143.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.665 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HB2' ' HG3' ' A' ' 48' ' ' MET . 34.6 tttp -108.76 122.38 47.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.962 0.41 . . . . 0.0 110.183 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.59 91.58 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.552 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 50.25 67.61 0.89 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.913 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.33 2.52 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.214 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.08 132.2 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -104.85 113.51 27.14 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.552 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -107.23 164.49 12.13 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.078 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.797 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . 64.9 mtt180 -82.14 160.53 23.09 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.676 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.17 140.76 22.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.996 0.427 . . . . 0.0 110.521 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -133.49 162.17 32.6 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 t -160.76 168.12 25.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.44 13.1 67.43 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 172.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.59 167.37 18.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.84 129.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 80' ' ' VAL . 65.9 mt -121.75 125.57 46.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.182 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 171.77 9.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.765 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.19 125.6 34.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.364 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 0.33 54.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.308 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.0 164.56 26.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.333 0.587 . . . . 0.0 111.784 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.94 121.51 45.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.258 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 74' ' ' LEU . 27.3 m -123.97 152.44 29.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.856 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 m -100.98 128.31 47.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.408 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.613 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -85.63 115.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.979 0.418 . . . . 0.0 110.636 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.22 -53.63 5.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.266 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.91 170.4 19.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.334 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 41' ' ' ILE . 49.9 mt -112.21 138.18 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.499 ' OE2' ' HE3' ' A' ' 89' ' ' LYS . 36.3 tt0 -134.99 82.86 1.98 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.73 -111.15 3.35 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.583 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.64 -2.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.475 0.655 . . . . 0.0 110.239 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 51.1 pttt -124.86 166.22 16.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.265 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.7 mt -120.01 150.1 41.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.473 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.7 107.54 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 82' ' ' VAL . 33.5 m -126.67 170.69 16.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.256 0.55 . . . . 0.0 112.199 -172.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.21 175.7 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.288 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.71 ' HG ' ' HE2' ' A' ' 44' ' ' LYS . 2.3 mm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.119 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD11 ' A' ' 85' ' ' ILE . 46.5 mm -89.29 133.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -176.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.52 3.15 61.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.508 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -100.1 173.35 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.637 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HE2' HD13 ' A' ' 95' ' ' LEU . 39.4 ttmt -84.84 143.94 28.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.43 165.85 23.09 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.28 144.82 27.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 t -85.92 116.88 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.248 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.401 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 79.8 mtp -94.7 -37.95 11.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.13 175.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.2 tp10 -120.72 135.67 55.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.02 123.41 15.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.765 0.666 . . . . 0.0 112.086 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.438 HG12 ' HA3' ' A' ' 57' ' ' GLY . 74.9 mt -91.81 123.62 44.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 22.8 p -124.7 165.08 27.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 62.9 Cg_endo -78.93 -5.51 14.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.052 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -108.02 -34.83 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.22 135.68 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m -70.36 154.79 41.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.291 -174.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -173.57 18.85 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.364 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 6.8 mp -125.36 128.64 48.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.696 0.284 . . . . 0.0 110.56 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 80' ' ' VAL . 20.0 m -115.97 142.69 28.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 22.2 tttp -103.43 114.41 28.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.027 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.09 87.3 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.715 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.97 -70.37 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.937 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.51 -11.31 2.46 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.536 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.27 158.52 15.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 m -132.46 117.58 18.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -119.39 165.13 14.72 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.606 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -80.42 150.42 29.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.62 140.22 35.02 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.685 -174.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.498 HG21 ' HD2' ' A' ' 89' ' ' LYS . 20.2 p -129.5 139.3 51.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.605 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -152.1 165.9 33.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.81 -22.4 49.85 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.288 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 169.08 11.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.32 129.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 80' ' ' VAL . 46.7 mt -127.18 120.48 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.316 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.57 -179.98 5.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.627 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.21 138.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.354 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.67 -7.81 71.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.903 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -77.21 173.4 11.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.27 0.557 . . . . 0.0 111.687 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.07 129.77 55.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.802 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 74' ' ' LEU . 35.8 m -117.94 146.01 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.341 0.591 . . . . 0.0 111.316 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -105.15 122.05 45.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.395 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.8 t -79.35 110.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.85 0.357 . . . . 0.0 110.189 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -83.21 -47.54 11.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.397 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -158.12 179.24 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.027 0.441 . . . . 0.0 111.774 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 41' ' ' ILE . 37.2 mt -109.47 138.76 35.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.92 79.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.5 -117.26 6.55 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.72 0.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.892 0.853 . . . . 0.0 109.687 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HD2' HG21 ' A' ' 69' ' ' THR . 28.3 mtmt -106.84 154.02 21.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.33 141.5 38.59 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -89.54 106.69 17.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.0 m -128.09 161.47 36.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 -172.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -149.42 169.51 20.69 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.215 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -68.24 140.79 56.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -175.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 121.109 0.481 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.68 132.11 32.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.956 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.71 68.05 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.713 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -99.21 164.13 12.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.75 0.309 . . . . 0.0 110.513 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -94.9 144.66 25.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -137.6 -172.89 12.7 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.17 144.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 120.756 0.312 . . . . 0.0 110.437 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.3 118.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 3.0 mmt -100.42 -34.24 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 0.0 110.174 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 7.9 tp10 -121.25 137.98 54.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.706 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.51 129.58 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.667 0.604 . . . . 0.0 111.312 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 80.2 mt -103.28 120.06 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.959 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 p -136.92 159.19 71.1 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.68 -29.71 84.13 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.869 2.379 . . . . 0.0 111.563 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -72.22 -51.74 19.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.548 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -133.97 130.02 37.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.988 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -70.32 154.65 41.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.137 0.494 . . . . 0.0 111.06 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.66 -164.08 21.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.752 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.419 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 81.6 mt -130.29 123.91 31.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.721 0.296 . . . . 0.0 110.58 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.99 140.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -109.01 105.64 15.25 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.324 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 47.3 t -116.56 107.09 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.0 t70 66.36 10.86 7.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.35 174.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.33 -21.93 9.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.13 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -87.16 144.63 26.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -114.17 122.81 47.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.93 0.395 . . . . 0.0 110.167 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -125.46 165.34 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.239 -178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -81.44 153.43 26.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.7 142.21 33.33 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.33 0.586 . . . . 0.0 112.441 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 p -134.27 157.98 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.591 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 t -162.94 160.89 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.5 -8.04 88.05 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.2 m -116.21 169.71 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' H ' HG22 ' A' ' 72' ' ' THR . 7.5 p -95.83 132.06 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 53.2 mt -123.36 127.43 48.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.32 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.26 178.01 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.33 136.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.947 -174.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -7.96 67.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.299 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.76 169.64 17.91 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.336 0.589 . . . . 0.0 111.366 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -114.18 135.03 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.847 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 18.9 m -125.65 153.22 33.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.016 0.436 . . . . 0.0 111.609 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.573 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 43.1 t -110.27 124.88 52.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.189 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.3 t -71.32 105.35 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -92.78 -45.32 8.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -173.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.86 -177.74 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.559 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.6 mt -128.26 143.0 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.466 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.82 90.81 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.81 -119.55 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.27 7.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.622 . . . . 0.0 109.894 175.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -108.12 139.68 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.224 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.26 148.24 22.62 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.841 0.353 . . . . 0.0 110.28 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.26 108.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 23.1 m -116.43 153.9 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.082 0.468 . . . . 0.0 111.569 -172.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.573 ' HG3' ' HB3' ' A' ' 81' ' ' SER . 7.4 pt-20 -117.34 162.93 17.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.868 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -77.43 124.19 27.56 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.758 -178.585 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.995 0.426 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -82.58 123.78 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.304 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.42 6.61 58.56 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.083 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -88.09 158.18 18.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.57 144.38 25.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.614 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.32 164.84 22.78 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 p -118.17 143.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 113.37 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.859 0.361 . . . . 0.0 110.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mmt -96.66 -34.48 11.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.117 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -124.35 142.73 51.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.444 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.98 122.92 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.805 0.69 . . . . 0.0 111.907 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.545 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.0 mt -95.18 119.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.674 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 p -131.67 163.28 50.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 0.0 111.421 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.03 -6.64 16.5 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.159 2.572 . . . . 0.0 111.993 171.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.41 -56.2 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.386 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -131.74 138.31 48.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.908 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -66.47 146.71 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -99.88 -173.13 30.42 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.616 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -121.9 127.01 49.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.838 0.351 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.3 147.45 24.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.621 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -110.44 109.03 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.001 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.1 t -88.12 90.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.184 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 69.86 -67.82 0.22 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.728 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 11.8 1.91 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.112 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -124.99 144.49 50.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.11 0.455 . . . . 0.0 110.812 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.4 m -99.47 121.2 40.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.086 0.47 . . . . 0.0 110.715 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -129.57 164.76 23.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.974 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.523 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.4 mpt_? -84.94 170.73 12.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.26 139.99 19.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.875 0.369 . . . . 0.0 111.296 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -119.52 134.19 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.216 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 t -137.46 168.55 19.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 -18.21 42.09 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -115.61 160.64 19.74 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 122.444 0.298 . . . . 0.0 110.292 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.2 121.09 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.439 0.638 . . . . 0.0 110.393 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.515 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 66.2 mt -111.66 122.98 49.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -93.95 176.74 6.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.354 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.34 124.97 30.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.766 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.11 2.74 41.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.504 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.62 164.38 23.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.31 0.576 . . . . 0.0 111.922 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -112.44 123.24 49.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.864 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.87 147.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.775 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.9 m -100.11 126.09 46.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.894 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 38.3 t -81.13 112.7 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -85.14 -45.93 11.59 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.62 158.47 42.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.512 HG12 HD22 ' A' ' 90' ' ' LEU . 65.2 mt -102.82 132.88 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -124.38 79.58 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.52 -115.97 5.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.904 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.39 7.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.336 0.589 . . . . 0.0 110.858 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 10.5 ptpp? -126.23 154.97 42.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 85' ' ' ILE . 56.6 mt -109.18 149.32 29.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.144 0.497 . . . . 0.0 111.438 -175.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 106.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 34.9 m -126.78 160.04 35.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.981 -172.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.58 161.81 31.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.538 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.11 137.74 45.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.68 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 61' ' ' VAL . 85.0 mt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.706 HD11 HG13 ' A' ' 85' ' ' ILE . 46.9 mm -76.21 124.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.126 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.47 0.06 59.61 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.93 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.62 153.65 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -86.72 143.35 27.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.791 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 163.08 24.11 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.31 142.97 28.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-O 120.941 0.4 . . . . 0.0 110.283 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -87.07 110.55 20.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.6 mmt -93.46 -30.39 15.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.023 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -131.48 138.51 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 134.49 56.13 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.879 0.737 . . . . 0.0 111.865 -174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.493 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.1 mt -100.95 115.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.816 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.89 166.6 20.41 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.42 -34.33 54.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.845 2.364 . . . . 0.0 112.203 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.36 -44.22 13.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -123.15 126.34 46.84 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 110.602 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 151.99 42.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.315 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -103.6 178.95 25.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.556 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.405 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.9 mt -120.22 125.58 48.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.016 0.436 . . . . 0.0 111.162 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.38 159.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.07 120.39 27.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 40' ' ' LEU . 42.8 t -109.26 103.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.917 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 67.24 -74.96 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.93 0.768 . . . . 0.0 111.651 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.75 -1.47 2.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.831 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -111.13 138.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -98.91 120.63 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.318 0.58 . . . . 0.0 110.056 175.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -117.24 160.58 20.85 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.106 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HD3' HG12 ' A' ' 88' ' ' VAL . 9.0 mpt_? -86.81 161.57 18.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.62 146.15 31.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.919 0.39 . . . . 0.0 111.829 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.401 ' OG1' ' HD3' ' A' ' 89' ' ' LYS . 31.7 p -132.2 142.13 49.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.659 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 t -152.7 160.79 43.14 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.42 74.27 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.327 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.7 p -100.7 144.7 29.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.511 0.196 . . . . 0.0 110.978 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.8 131.24 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.037 0.446 . . . . 0.0 109.87 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.3 mt -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.182 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.13 164.89 14.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.171 0.51 . . . . 0.0 111.184 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.28 139.78 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.441 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -11.27 61.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.278 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -78.2 172.43 13.57 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.281 0.562 . . . . 0.0 111.721 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.21 138.92 54.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.335 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.2 m -130.64 156.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.104 0.478 . . . . 0.0 112.116 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -103.45 121.47 42.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.492 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.6 t -77.02 109.76 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -97.74 -34.89 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.466 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.85 156.63 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.525 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.706 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -111.79 133.11 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.52 97.29 2.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 -123.14 5.94 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.611 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG12 ' HD3' ' A' ' 67' ' ' ARG . 7.3 t -105.69 2.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.686 0.755 . . . . 0.0 109.521 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HD3' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -123.61 151.23 43.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.324 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG12 ' A' ' 85' ' ' ILE . 56.7 mt -99.57 150.32 22.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.555 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 52.1 t -95.9 107.34 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 172.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.2 m -120.07 160.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.32 0.581 . . . . 0.0 112.069 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -119.87 159.26 24.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.29 140.13 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.425 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HA ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 mt . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.074 0.464 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.75 121.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.66 15.85 48.11 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.206 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 8.2 mmp_? -93.46 159.87 15.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.099 0.476 . . . . 0.0 110.607 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -86.77 143.39 27.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.442 176.802 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.608 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -140.99 171.91 23.92 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -125.45 143.0 40.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.656 0.265 . . . . 0.0 110.496 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.8 t -87.28 109.75 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.8 mtp -95.13 -36.02 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.964 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 11.0 tp10 -120.07 134.83 55.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.78 124.9 17.96 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.586 0.554 . . . . 0.0 111.954 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.541 HG12 ' HA3' ' A' ' 57' ' ' GLY . 66.8 mt -101.13 126.23 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.134 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 p -128.69 160.67 61.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.2 -32.09 86.2 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.756 2.304 . . . . 0.0 111.924 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -84.58 -58.83 2.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.215 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.67 129.75 55.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -173.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -67.53 158.3 32.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.475 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -118.98 -164.09 12.66 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.3 mt -127.12 128.63 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.958 0.408 . . . . 0.0 111.242 -176.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.71 155.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -121.07 115.27 22.81 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.908 0.385 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.19 71.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 65.13 -76.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.457 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.53 -32.26 8.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.29 -174.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -117.43 141.79 47.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -99.45 122.56 42.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.326 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.41 156.47 27.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.17 141.02 32.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.9 140.48 46.84 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.148 0.499 . . . . 0.0 111.965 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 p -114.7 144.42 43.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.871 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 m -145.01 158.51 43.79 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.208 0.317 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 7.52 70.5 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.46 168.39 15.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.21 110.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 80' ' ' VAL . 76.0 mt -101.6 125.63 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 110.856 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.58 161.07 21.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.853 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.22 131.85 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 1.0 61.55 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.297 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.91 164.72 24.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.476 0.655 . . . . 0.0 111.701 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -114.75 124.56 52.08 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.15 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 74' ' ' LEU . 26.8 m -125.62 154.28 34.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.048 0.451 . . . . 0.0 111.894 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m -102.92 130.53 50.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.897 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -77.4 105.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -90.2 -33.01 16.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.266 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.27 179.23 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.8 mt -125.15 136.19 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -133.61 110.36 9.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.89 -114.67 4.28 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 88' ' ' VAL . 13.6 t -119.45 8.22 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.882 0.849 . . . . 0.0 108.913 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -110.25 153.48 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.393 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.22 148.1 23.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.288 0.566 . . . . 0.0 110.768 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.56 100.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.9 m -117.21 157.53 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -174.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -146.09 155.65 42.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 40.4 tttp -66.56 142.97 57.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.165 -171.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.714 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 8.0 mp . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.839 169.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.091 0.472 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 85' ' ' ILE . 50.0 mm -61.69 122.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.88 67.47 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.68 -0.771 . . . . 0.0 113.042 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -101.12 168.08 9.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -102.32 152.97 20.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.63 -170.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.35 172.24 27.8 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.21 143.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.3 t -83.99 108.42 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.458 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mmm -92.23 -35.5 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.361 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 58' ' ' LEU . 10.1 tp10 -122.76 137.35 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 134.72 56.83 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.553 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 74' ' ' LEU . 65.2 mt -100.56 121.95 51.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.096 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 p -122.82 158.15 57.91 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.937 0.399 . . . . 0.0 111.06 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.69 -35.2 86.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.243 2.629 . . . . 0.0 112.814 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -85.14 -39.92 17.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.265 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -132.85 127.44 34.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 0.0 111.081 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 m -68.93 156.82 37.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.18 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.96 -165.11 21.42 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.068 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 96.1 mt -127.42 128.39 45.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.729 0.3 . . . . 0.0 110.371 -177.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 47' ' ' VAL . 35.1 m -126.46 146.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.267 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.16 124.08 46.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -131.08 117.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.419 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 74.98 -35.35 0.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.925 0.766 . . . . 0.0 112.096 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.88 -27.89 0.11 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.121 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.93 155.38 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.432 . . . . 0.0 111.016 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -104.0 119.77 39.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.858 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -116.6 162.72 17.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 -175.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.76 133.85 35.72 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.29 141.22 51.77 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.36 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 161.34 35.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.781 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.0 p -166.42 -174.53 2.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.942 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.03 2.22 61.45 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.448 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 167.64 10.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.722 0.296 . . . . 0.0 110.617 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.06 102.64 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 51' ' ' ILE . 85.6 mt -99.88 130.77 46.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.37 172.44 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.528 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.4 t -77.19 121.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.222 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.6 -20.86 8.18 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.7 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.11 165.62 23.77 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.239 0.542 . . . . 0.0 111.558 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -115.16 132.68 56.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.353 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 74' ' ' LEU . 29.1 m -126.27 158.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -120.93 138.3 54.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.858 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 37.4 t -71.59 121.93 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.942 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -95.69 -44.38 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.095 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.09 -178.3 7.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.583 HG13 HD11 ' A' ' 41' ' ' ILE . 44.1 mt -128.47 132.89 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.823 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.35 94.76 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.9 -107.68 2.31 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.196 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.22 4.37 8.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 109.182 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.95 152.82 22.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.194 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -103.27 144.79 30.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.69 111.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.3 m -122.41 157.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.33 -174.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.15 153.26 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 80' ' ' VAL . 17.0 ttpp -77.51 132.35 38.34 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.717 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' HG11 ' A' ' 61' ' ' VAL . 1.1 pt? . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.796 0.331 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.2 mm -70.47 113.61 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 13.98 59.44 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.844 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -109.77 170.9 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 111.257 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.521 ' HZ3' ' HB3' ' A' ' 44' ' ' LYS . 10.5 mtpm? -87.91 147.84 24.89 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.499 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.46 135.8 6.82 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.112 174.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.2 143.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-O 120.914 0.388 . . . . 0.0 109.995 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -82.98 116.51 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 86.5 mtp -96.49 -32.29 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.268 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -129.69 141.0 50.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.682 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.35 124.15 17.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.821 0.701 . . . . 0.0 112.283 -173.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 73.1 mt -89.16 116.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.897 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.476 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 43.7 p -137.97 165.74 31.32 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.082 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 39.1 Cg_endo -81.09 4.35 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.66 2.24 . . . . 0.0 111.416 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -98.48 -41.02 7.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.585 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -149.47 127.95 12.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.691 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -59.68 147.85 36.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 110.415 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -96.24 175.72 32.28 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.883 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.6 mt -116.75 127.44 54.37 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.93 141.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.632 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 64.5 tttm -98.67 106.87 19.19 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 40' ' ' LEU . 27.8 t -116.0 124.38 72.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.768 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 66.13 -83.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.934 0.771 . . . . 0.0 110.214 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.65 2.49 1.07 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.235 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -112.04 152.6 28.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.993 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -99.9 114.2 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -108.01 163.97 12.68 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 4.2 mpt_? -91.21 143.48 26.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.41 152.26 46.93 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.245 0.545 . . . . 0.0 112.165 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -144.43 159.7 42.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.415 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 72' ' ' THR . 6.4 t -151.02 8.14 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.296 0.57 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.53 1.26 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.324 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.0 m -105.87 171.53 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG22 ' A' ' 72' ' ' THR . 7.9 p -85.87 134.19 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.498 . . . . 0.0 111.294 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -128.54 131.5 48.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.07 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.84 178.88 5.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.04 137.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.506 -175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.31 -6.13 63.3 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.161 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.78 164.58 26.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.33 0.586 . . . . 0.0 112.094 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.83 123.21 45.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.698 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.82 160.98 34.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.954 0.407 . . . . 0.0 111.347 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.6 m -112.57 132.05 55.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.269 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 HG12 ' A' ' 92' ' ' VAL . 46.3 t -89.18 108.46 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.151 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -96.48 -37.65 10.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.72 170.64 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 111.275 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -125.83 131.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.18 94.55 4.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.29 -112.53 3.78 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.02 1.3 10.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.662 0.744 . . . . 0.0 109.753 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -108.8 153.18 23.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.734 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -100.84 146.07 27.77 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.936 0.398 . . . . 0.0 110.397 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.55 100.49 10.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 82' ' ' VAL . 34.2 m -112.6 156.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.465 -172.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.21 158.1 40.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.02 143.06 47.67 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.506 HD21 ' HE2' ' A' ' 44' ' ' LYS . 4.6 mp . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.836 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 85' ' ' ILE . 45.3 mm -74.51 129.92 36.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.044 -176.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.64 12.1 75.84 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.834 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -117.23 159.45 22.64 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.723 -0.281 . . . . 0.0 110.365 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -92.58 152.84 19.39 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.556 0.693 . . . . 0.0 111.504 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.37 -179.9 19.63 Favored Glycine 0 N--CA 1.436 -1.365 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.558 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.88 143.68 34.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' HA ' HG12 ' A' ' 59' ' ' VAL . 26.4 t -84.24 114.4 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.962 0.41 . . . . 0.0 110.26 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.6 mmm -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.7 142.16 49.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.954 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.37 135.06 45.55 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.578 0.549 . . . . 0.0 111.558 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.523 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.4 mt -109.49 129.91 63.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.191 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -123.13 160.95 47.51 Favored Pre-proline 0 N--CA 1.447 -0.598 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' SER . 27.6 Cg_exo -60.87 -19.4 61.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.052 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -99.45 -54.0 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -109.93 135.56 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.61 154.69 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.225 0.536 . . . . 0.0 111.136 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.13 -168.46 17.08 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.271 -1.131 . . . . 0.0 110.271 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.2 134.99 49.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.305 0.553 . . . . 0.0 110.758 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 47' ' ' VAL . 20.1 m -130.15 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.185 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -104.55 110.3 22.53 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 49.0 t -130.6 130.69 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.836 -175.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.6 t70 72.03 -1.72 2.78 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.733 0.646 . . . . 0.0 110.9 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.44 -20.13 11.29 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.825 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -99.53 156.36 17.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.494 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 m -97.46 121.51 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -118.22 163.25 16.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.986 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -82.36 148.59 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.32 140.72 45.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.978 0.418 . . . . 0.0 111.514 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.6 p -126.17 135.38 51.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 27.2 m -138.93 160.57 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.396 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.94 -5.4 87.82 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.195 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.98 168.59 18.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.0 p -84.91 125.06 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.561 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.98 141.91 46.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.98 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.63 176.12 5.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.157 0.503 . . . . 0.0 110.981 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.92 138.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.883 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.18 -13.63 64.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.207 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.94 166.56 21.9 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.448 0.642 . . . . 0.0 112.035 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.65 127.45 55.28 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.045 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.93 163.1 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -123.82 139.33 54.08 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.033 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.0 t -86.24 117.44 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 -176.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -102.48 -28.49 12.16 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.8 165.04 33.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.759 0.314 . . . . 0.0 111.484 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -117.01 137.16 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.15 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 89' ' ' LYS . 8.8 tp10 -128.09 45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.813 0.816 . . . . 0.0 109.21 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 87.25 -120.93 5.65 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.791 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.4 m -79.93 -6.67 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.345 0.593 . . . . 0.0 110.097 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HE3' ' HG3' ' A' ' 86' ' ' GLU . 36.7 mtmt -107.03 143.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.313 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.44 147.76 34.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.094 0.473 . . . . 0.0 110.257 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 51.7 t -94.31 101.49 12.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.8 m -125.42 159.08 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.176 -173.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -145.49 165.05 29.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.842 172.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.23 135.9 46.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.241 0.543 . . . . 0.0 110.797 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.059 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 HG12 ' A' ' 85' ' ' ILE . 49.9 mm -69.82 119.21 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.529 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.82 55.46 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.605 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.19 175.71 5.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.936 0.398 . . . . 0.0 110.514 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 79' ' ' GLU . 37.2 ttpt -99.07 146.71 25.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.614 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.05 172.7 21.32 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 11.1 p -122.52 143.77 34.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.692 0.282 . . . . 0.0 110.263 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' HA ' HG12 ' A' ' 59' ' ' VAL . 43.2 t -84.33 119.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.7 -33.76 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.018 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 29.1 tt0 -131.11 137.23 48.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.57 136.84 31.71 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.753 0.658 . . . . 0.0 112.063 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' HA3' ' A' ' 57' ' ' GLY . 61.9 mt -115.0 132.92 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.232 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 p -132.28 160.94 65.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.419 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.97 -24.49 57.53 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.004 2.47 . . . . 0.0 112.35 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.83 -57.65 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -105.15 118.04 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.733 0.302 . . . . 0.0 110.354 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -67.45 160.93 26.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.135 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -129.47 -167.24 12.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.429 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 67.8 mt -118.79 138.47 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 110.987 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 47' ' ' VAL . 17.8 m -129.74 151.53 35.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 4.3 tppt? -98.42 116.82 31.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.4 t -132.72 119.32 37.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.028 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 69.6 8.95 7.01 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.952 0.782 . . . . 0.0 111.026 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.95 -20.79 21.51 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.137 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.37 155.74 17.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 0.0 110.518 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -101.2 118.64 37.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -118.34 165.32 14.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.1 mpt_? -86.46 146.04 26.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.93 140.12 45.49 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 p -118.86 131.94 56.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.333 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 t -147.48 147.42 30.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.99 37.06 3.29 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.91 162.87 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 p -91.15 108.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.473 0.654 . . . . 0.0 110.037 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 80' ' ' VAL . 64.3 mt -107.19 122.27 46.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.407 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -82.85 165.7 19.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.287 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.67 133.75 31.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.185 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.44 -11.47 70.18 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.631 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.75 170.68 11.92 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.278 0.561 . . . . 0.0 111.599 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 44' ' ' LYS . 36.0 mt-10 -116.14 128.66 55.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.778 -178.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 74' ' ' LEU . 20.7 m -121.38 149.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.013 0.435 . . . . 0.0 111.737 -176.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 m -95.9 123.06 39.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.007 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.9 t -83.75 113.65 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -102.01 -37.51 8.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.47 163.56 39.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 111.485 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.566 HG12 HD11 ' A' ' 41' ' ' ILE . 27.0 mm -106.92 134.32 48.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.236 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -127.69 93.29 3.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.006 0.431 . . . . 0.0 110.319 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.63 -115.67 8.26 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.297 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.94 11.2 6.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 29.2 mtmt -121.4 156.84 31.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.278 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 mt -104.64 143.0 33.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.841 0.353 . . . . 0.0 110.074 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.55 105.0 16.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -125.35 154.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -174.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.9 165.96 24.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 95' ' ' LEU . 40.5 tttt -69.64 147.02 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.652 0.263 . . . . 0.0 110.694 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.3 mm? . . . . . 0 C--O 1.233 0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.386 170.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 61' ' ' VAL . 59.3 mt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.39 0.614 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 85' ' ' ILE . 50.1 mm -73.25 135.62 27.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.563 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.24 26.42 61.78 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.584 -0.734 . . . . 0.0 113.487 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -125.79 160.3 30.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.952 0.376 . . . . 0.0 110.483 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -95.64 144.97 25.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.01 -179.95 18.35 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 60' ' ' LYS . 10.3 p -120.99 144.29 30.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.43 116.8 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.9 mmm -98.43 -24.0 15.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.254 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.61 149.66 41.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.91 123.23 13.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.85 0.719 . . . . 0.0 111.485 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.554 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.7 mt -105.48 119.29 54.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.992 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.47 166.37 14.79 Favored Pre-proline 0 N--CA 1.444 -0.759 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 22.6 Cg_exo -63.2 -35.09 65.8 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 111.856 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' OE1' ' HD2' ' A' ' 53' ' ' PRO . 20.3 mp0 -83.03 -45.48 14.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.429 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -120.62 124.47 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -68.07 158.22 33.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.117 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.1 -163.38 12.36 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.714 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.1 mt -120.28 137.1 54.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.651 0.263 . . . . 0.0 111.093 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG13 HD11 ' A' ' 51' ' ' ILE . 18.2 m -130.02 152.78 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.192 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HB3' HG12 ' A' ' 46' ' ' VAL . 38.7 ttmt -94.71 123.1 37.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.23 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 40' ' ' LEU . 47.5 t -124.98 110.34 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.82 -80.27 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.074 0.859 . . . . 0.0 111.349 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.96 5.54 1.97 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.25 160.55 22.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -101.87 113.08 25.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.431 ' CD1' ' HB ' ' A' ' 61' ' ' VAL . 67.2 m95 -104.69 163.34 12.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.235 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 7.3 mpt_? -91.08 144.36 25.73 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 92' ' ' VAL . . . -143.99 140.22 29.5 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.109 0.48 . . . . 0.0 111.462 -174.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 159.72 22.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.294 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -159.79 172.8 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.05 -3.85 55.62 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.31 166.62 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.35 115.64 29.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.05 0.453 . . . . 0.0 110.397 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 80' ' ' VAL . 47.8 mt -105.48 126.27 51.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.397 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.44 165.46 12.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.483 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.6 t -73.54 116.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.401 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.69 -18.43 7.17 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.887 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -74.88 169.01 18.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.278 0.561 . . . . 0.0 111.575 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -121.47 135.18 55.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.556 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 74' ' ' LEU . 30.6 m -129.19 156.35 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 -177.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 m -113.05 137.59 51.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.186 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.43 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -80.16 114.74 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.238 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -76.68 -53.6 7.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.516 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -158.75 179.92 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.692 -175.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 87' ' ' GLY . 54.7 mt -117.6 132.45 67.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -107.66 12.8 27.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.0 111.104 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 136.41 -113.94 1.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.06 -6.99 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.521 0.677 . . . . 0.0 109.858 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -116.68 160.09 21.25 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 mt -107.83 147.95 30.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.028 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.9 100.57 10.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.497 HG22 ' HB1' ' A' ' 68' ' ' ALA . 29.1 m -117.82 156.29 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.863 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -138.98 157.04 46.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG12 ' A' ' 80' ' ' VAL . 24.4 ttpp -69.74 143.08 53.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.292 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.326 -0.434 0 O-C-N 123.462 0.476 . . . . 0.0 110.299 171.23 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.191 0.519 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.461 HD13 HG12 ' A' ' 82' ' ' VAL . 47.7 mm -76.17 124.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.25 57.6 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.632 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 43' ' ' ARG . 34.2 mtt180 -114.57 170.75 8.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 79' ' ' GLU . 27.3 ttmt -89.26 144.84 25.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.166 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.45 144.47 16.29 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.72 143.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 117.49 0.645 . . . . 0.0 110.577 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 59' ' ' VAL . 49.8 t -85.72 111.71 21.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.95 -176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 80.5 mtp -90.97 -37.59 13.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.286 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -123.63 140.85 52.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.689 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.29 116.97 3.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.691 0.619 . . . . 0.0 112.189 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 HD12 HD12 ' A' ' 74' ' ' LEU . 66.8 mt -85.67 139.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.569 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 p -150.98 162.58 26.44 Favored Pre-proline 0 C--N 1.322 -0.626 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.323 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.71 -16.19 49.63 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.62 2.213 . . . . 0.0 111.218 171.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -70.15 -48.62 56.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.992 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -163.77 166.65 21.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.745 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.93 154.56 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.842 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.533 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -112.76 -174.62 19.3 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 93.5 mt -120.22 124.41 45.6 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.844 0.322 . . . . 0.0 110.605 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 47' ' ' VAL . 25.9 m -121.26 143.74 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 38.8 ttpt -94.39 114.31 26.33 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.5 81.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t70 72.95 -32.56 0.25 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.455 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.48 -54.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.1 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.35 164.82 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.564 -0.374 . . . . 0.0 111.055 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -98.05 138.33 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.292 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -132.75 165.18 25.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.495 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.537 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 6.5 mpt_? -79.7 145.73 32.8 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.45 140.73 39.38 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.129 0.49 . . . . 0.0 111.549 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.5 p -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.393 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 p -151.83 169.4 22.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.073 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.91 27.44 16.36 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.159 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.3 m -147.2 171.57 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 p -94.57 131.92 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 51' ' ' ILE . 69.5 mt -121.86 144.0 49.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.954 -175.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -101.22 161.59 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.056 0.455 . . . . 0.0 111.279 -176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.84 128.85 34.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.752 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.06 -5.41 53.04 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.226 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.19 171.65 14.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.095 0.474 . . . . 0.0 111.147 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.525 ' HB3' ' HD3' ' A' ' 44' ' ' LYS . 33.7 mt-10 -124.34 132.54 53.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.614 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.0 m -123.65 153.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 111.583 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -100.45 126.79 46.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.621 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 92' ' ' VAL . 25.7 t -79.16 112.87 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.866 0.365 . . . . 0.0 110.192 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -95.95 -43.66 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.148 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.72 -179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.758 0.314 . . . . 0.0 111.517 -175.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.17 134.96 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 83.87 2.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.41 -110.72 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.758 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.21 0.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.882 0.848 . . . . 0.0 109.794 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . 40.5 mtmt -101.18 161.45 13.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.742 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.7 147.13 37.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.954 0.407 . . . . 0.0 109.961 174.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 60.8 t -97.53 112.67 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -123.6 163.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.121 0.486 . . . . 0.0 111.792 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -131.68 159.19 39.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.51 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 62.6 tttm -86.76 137.12 32.69 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.857 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 10.3 mp . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 168.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 85' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.67 99.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.26 0.553 . . . . 0.0 110.148 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.25 2.85 26.25 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.195 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 43' ' ' ARG . 22.0 mmt180 -80.51 166.84 20.8 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 111.05 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 32.9 mtpt -85.89 167.06 15.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.027 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.64 138.73 5.66 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 173.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 13.4 p -102.89 143.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.02 107.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.939 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.1 mmm -87.8 -35.06 18.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.717 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.7 139.69 52.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.31 126.34 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.899 0.749 . . . . 0.0 112.036 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 74' ' ' LEU . 74.8 mt -87.17 123.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.678 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -133.37 161.15 65.53 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.854 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.14 -29.05 81.92 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.949 2.433 . . . . 0.0 112.091 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.41 -59.38 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.02 120.23 41.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.753 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 143.61 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.562 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -92.01 174.75 37.62 Favored Glycine 0 C--N 1.315 -0.638 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.277 -172.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -109.7 121.0 44.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 14.8 m -108.67 134.02 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.92 107.77 20.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.4 108.95 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 62.76 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.9 -174.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.33 5.41 3.24 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.908 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -119.79 141.26 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -99.88 133.11 44.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.594 0.711 . . . . 0.0 111.085 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.09 165.1 14.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.268 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.577 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 3.2 mpt_? -93.23 143.98 25.73 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -130.95 140.1 50.12 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.124 0.488 . . . . 0.0 112.132 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -117.61 130.02 56.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.794 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -142.94 162.41 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.57 -20.93 49.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.111 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.73 150.43 22.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.484 0.183 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 52.7 t -81.61 104.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.208 0.528 . . . . 0.0 109.691 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 51' ' ' ILE . 92.5 mt -95.19 132.12 40.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.009 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.41 162.45 21.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.339 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.25 122.5 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.86 -11.87 27.31 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.908 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.63 167.38 20.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.107 0.48 . . . . 0.0 111.362 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -123.88 141.17 52.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.213 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.15 176.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.158 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -130.89 140.75 50.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.123 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -81.42 121.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -176.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.64 -48.85 6.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.677 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.97 166.1 25.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' LEU . 45.0 mt -129.64 127.05 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -129.68 95.33 3.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.382 0.61 . . . . 0.0 111.034 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.18 -108.98 2.67 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.896 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.476 ' HB ' HH11 ' A' ' 67' ' ' ARG . 28.3 m -104.99 2.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -115.31 143.21 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.433 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.91 140.92 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.708 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.9 107.1 18.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -127.62 165.69 26.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.92 164.64 36.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.774 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.54 130.5 43.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.554 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.616 -179.862 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 85' ' ' ILE . 49.4 mm -83.39 125.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.41 . . . . 0.0 111.176 -174.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 12.04 74.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.811 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -101.84 164.45 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 111.207 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 5.8 tmmm? -87.17 144.83 26.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.225 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -139.51 169.89 24.39 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -124.48 143.81 36.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.55 118.19 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.935 0.398 . . . . 0.0 111.032 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mmt -102.97 -23.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.1 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -136.84 145.06 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.87 125.76 21.51 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.672 0.607 . . . . 0.0 112.049 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HA3' ' A' ' 57' ' ' GLY . 71.0 mt -105.46 129.9 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.217 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.4 p -134.89 163.02 54.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.843 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.21 -22.21 72.51 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.622 2.215 . . . . 0.0 111.327 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -83.08 -59.48 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.743 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -123.6 132.26 53.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.021 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -62.34 155.94 23.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.053 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ARG . . . -112.56 -157.33 13.19 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 80.1 mt -125.41 128.82 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.407 . . . . 0.0 110.828 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.42 144.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -93.19 107.01 18.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.0 t -98.38 103.89 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.15 -73.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.192 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -0.55 0.66 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.472 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -120.22 153.88 35.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.369 0.584 . . . . 0.0 110.728 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -102.24 125.84 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -127.1 156.84 41.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.763 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 4.4 mpt_? -72.47 143.18 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.63 142.64 30.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.157 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -120.33 164.0 16.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -162.23 178.9 8.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.09 -8.02 67.27 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.236 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -119.5 164.73 15.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.72 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 21.6 t -92.75 95.39 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.182 0.515 . . . . 0.0 109.629 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 73.2 mt -86.45 129.81 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.12 164.75 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.12 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.41 130.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.645 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 -10.53 39.59 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.893 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.03 164.28 25.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.513 0.673 . . . . 0.0 112.1 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -107.16 135.2 49.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.732 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.83 163.35 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.022 0.439 . . . . 0.0 111.307 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -124.31 133.26 53.51 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.7 t -80.24 115.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.279 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.44 -53.91 7.08 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -161.73 174.92 12.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.504 HG13 HD11 ' A' ' 41' ' ' ILE . 61.0 mt -105.09 138.12 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.232 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -121.85 79.34 1.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.942 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.95 -104.33 1.08 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.424 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 -4.41 9.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.575 0.702 . . . . 0.0 110.163 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -108.92 166.4 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -119.82 151.37 38.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -106.84 112.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -119.65 163.2 17.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.507 . . . . 0.0 111.834 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -110.68 176.65 4.95 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -93.85 122.63 36.53 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.868 -176.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 61' ' ' VAL . 40.4 mt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.17 0.509 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 82' ' ' VAL . 48.8 mm -61.26 122.7 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.326 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.7 -15.51 58.39 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.898 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -102.54 176.31 5.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 111.357 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 37.4 ttmt -88.65 148.03 24.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.472 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 44' ' ' LYS . . . -131.99 155.9 21.69 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 171.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.46 142.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 117.322 0.561 . . . . 0.0 110.683 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.69 110.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 83.3 mtp -94.11 -30.58 14.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.8 tp10 -125.9 137.72 53.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.642 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.04 117.45 4.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.965 0.79 . . . . 0.0 112.212 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 74' ' ' LEU . 70.7 mt -81.2 104.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.408 176.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -108.4 155.19 40.8 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-O 120.841 0.353 . . . . 0.0 110.803 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 73' ' ' VAL . 35.5 Cg_exo -60.53 -22.32 71.68 Favored 'Trans proline' 0 CA--C 1.526 0.083 0 C-N-CA 122.964 2.443 . . . . 0.0 112.145 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -94.33 -27.86 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.547 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -146.98 131.45 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -63.03 153.76 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.089 0.471 . . . . 0.0 111.273 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.58 -179.94 22.15 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.304 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.7 mt -117.43 126.27 52.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.712 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.32 142.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 54.7 tttp -101.99 114.55 28.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.275 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 40' ' ' LEU . 2.4 t -132.57 143.02 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.49 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.731 0.644 . . . . 0.0 110.489 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.25 7.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 68.1 mm-40 -113.56 164.96 12.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.664 0.269 . . . . 0.0 110.796 -176.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -109.95 109.72 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.421 0.629 . . . . 0.0 109.379 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.473 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 79.8 m95 -104.22 155.93 18.32 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.383 -173.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.89 135.92 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.3 142.1 51.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.085 0.469 . . . . 0.0 111.573 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.4 p -131.14 148.12 52.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.873 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -152.37 175.89 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.64 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.69 24.14 30.87 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.959 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.9 m -151.22 172.17 16.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.488 ' H ' HG22 ' A' ' 72' ' ' THR . 7.7 p -96.21 126.25 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.326 0.584 . . . . 0.0 110.742 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 51' ' ' ILE . 49.8 mt -117.1 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.77 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.18 -179.28 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.145 0.498 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -83.1 138.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.075 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.96 3.14 70.68 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.91 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.07 173.63 12.39 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.23 0.538 . . . . 0.0 110.759 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.77 143.41 50.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.34 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 94' ' ' LYS . 34.8 m -130.96 167.29 26.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.177 0.513 . . . . 0.0 111.765 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 m -110.26 126.27 54.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.256 173.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.571 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -79.78 113.09 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 25.3 mmtp -95.53 -46.34 6.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.959 -176.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.83 173.89 14.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.77 -174.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -117.76 132.76 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.576 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.49 104.59 6.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.52 -121.32 9.75 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.54 10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.202 0.525 . . . . 0.0 110.215 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -113.84 151.6 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.389 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -89.52 143.1 27.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.166 0.508 . . . . 0.0 110.443 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -97.37 102.9 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 82' ' ' VAL . 26.8 m -122.25 165.4 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.05 146.78 37.61 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.379 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 80' ' ' VAL . 27.5 ttpt -67.99 141.72 56.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.57 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.646 -177.544 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 85' ' ' ILE . 50.3 mm -69.17 118.42 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.373 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.51 6.39 56.49 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.284 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 43' ' ' ARG . 9.6 mmp_? -105.67 158.61 16.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.055 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -87.71 155.98 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.908 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.19 162.16 29.14 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 9.9 p -112.53 143.65 21.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.6 t -87.51 116.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.064 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.4 mmt -100.61 -24.63 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.1 tp10 -130.67 133.81 46.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 130.7 43.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.937 0.773 . . . . 0.0 112.055 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 55.9 mt -104.67 111.72 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.354 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 p -109.98 162.63 19.63 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.062 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.01 -20.96 56.16 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.828 2.352 . . . . 0.0 112.119 175.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -94.35 -60.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -113.72 144.27 43.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.442 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 44.3 m -74.86 174.23 9.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.5 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -131.85 -157.57 8.74 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.9 mt -129.58 132.88 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.465 0.174 . . . . 0.0 110.549 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.91 147.59 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.044 0.45 . . . . 0.0 110.706 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' GLU . 86.7 tttt -112.5 119.59 38.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.865 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.25 87.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 44.95 72.9 0.18 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.789 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.84 -47.99 1.65 Allowed Glycine 0 C--N 1.318 -0.428 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.936 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 25.1 mm-40 -78.75 134.17 37.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.668 0.234 . . . . 0.0 110.693 -174.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -118.65 112.0 19.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.11 157.25 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.752 -175.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.544 ' HB3' ' HG2' ' A' ' 89' ' ' LYS . 5.6 mpt_? -73.85 135.3 43.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -137.31 140.27 41.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.334 0.588 . . . . 0.0 112.072 -175.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.8 m -115.4 164.29 14.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.783 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.3 t -160.55 162.37 32.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 4.71 58.16 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 166.56 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.2 t -90.11 114.71 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HG11 ' A' ' 80' ' ' VAL . 49.7 mt -120.11 122.81 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.007 0.432 . . . . 0.0 110.983 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.9 177.41 6.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.562 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.39 133.97 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.923 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.92 -4.51 61.14 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.127 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.22 171.66 14.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.197 0.522 . . . . 0.0 111.8 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -122.07 135.17 54.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.239 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD13 ' A' ' 74' ' ' LEU . 27.8 m -134.71 -176.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -138.46 141.76 39.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 92' ' ' VAL . 26.2 t -85.14 114.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.107 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -105.12 -28.87 10.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.37 175.68 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.45 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.708 HG13 HD11 ' A' ' 41' ' ' ILE . 46.8 mt -128.91 139.13 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.066 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.17 98.88 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.05 0.453 . . . . 0.0 110.297 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.9 -119.3 7.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.043 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.48 1.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.589 0.709 . . . . 0.0 109.971 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.544 ' HG2' ' HB3' ' A' ' 67' ' ' ARG . 33.4 mtmm -112.52 157.42 21.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.924 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -101.04 150.8 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.741 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 58.6 t -101.14 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 82' ' ' VAL . 32.9 m -109.56 161.72 7.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -145.43 169.35 18.5 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.37 124.74 23.99 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.437 0.637 . . . . 0.0 110.196 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.2 tp . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.704 -179.456 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mtp . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.933 0.397 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.5 -90.59 0.17 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m 70.0 123.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.524 0.678 . . . . 0.0 112.107 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.1 t -144.02 122.8 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.062 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -94.7 13.82 23.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -76.08 108.39 8.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.162 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -120.67 100.47 7.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.32 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -123.07 -15.05 7.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.184 0.516 . . . . 0.0 109.655 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -85.36 153.35 22.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.203 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -102.64 155.63 18.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.995 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -82.69 172.99 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.451 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 m 70.81 177.29 0.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.655 0.597 . . . . 0.0 110.729 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.19 16.17 61.26 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.211 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.91 108.0 9.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.297 -0.451 . . . . 0.0 110.276 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -123.65 137.35 54.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -161.06 111.9 1.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.58 103.72 7.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.958 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -99.14 154.38 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.781 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 62.45 100.52 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.823 0.702 . . . . 0.0 111.674 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.46 -55.43 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.358 0.599 . . . . 0.0 110.476 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.56 114.3 1.6 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.33 172.53 18.33 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.3 mtp 63.87 29.18 14.65 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.769 0.668 . . . . 0.0 110.751 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.9 -178.14 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.335 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.61 127.61 34.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.6 0.238 . . . . 0.0 110.59 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -67.14 114.79 6.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.061 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.2 mt -101.39 103.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.752 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.1 m 73.08 -60.02 0.55 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.744 0.652 . . . . 0.0 111.969 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.85 90.28 0.68 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.395 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 61.14 85.35 0.18 Allowed Pre-proline 0 C--N 1.331 -0.226 0 C-N-CA 122.694 0.398 . . . . 0.0 111.289 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.62 76.56 2.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.372 2.048 . . . . 0.0 110.75 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -97.89 -165.06 1.2 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.66 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -91.09 167.14 12.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.763 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 66.35 24.98 10.47 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.934 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.81 131.88 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.189 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 t -56.49 126.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.399 0.618 . . . . 0.0 110.989 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 15.2 m -94.13 124.97 38.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.191 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -81.84 -8.32 59.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HG2' ' HB3' ' A' ' 37' ' ' SER . 8.3 ptp180 -67.14 -15.9 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.981 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 37' ' ' SER . 3.1 pp -97.48 0.3 47.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.96 0.409 . . . . 0.0 111.251 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mm -82.05 121.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.419 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.12 36.93 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.72 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -113.99 174.06 6.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.961 0.41 . . . . 0.0 111.32 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.0 145.66 30.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.417 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 165.74 24.61 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.47 143.66 24.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 120.839 0.352 . . . . 0.0 110.238 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.09 120.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.3 mmt -103.05 -29.13 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -128.22 140.22 52.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.43 130.81 40.77 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.615 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.551 HG12 ' HA3' ' A' ' 57' ' ' GLY . 75.5 mt -105.02 130.76 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.555 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 53.6 p -127.9 165.05 32.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 43.2 Cg_endo -77.28 -14.2 16.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.252 1.968 . . . . 0.0 111.66 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.12 -33.76 14.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -143.41 124.82 14.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.979 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -65.02 152.57 43.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.368 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.551 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -106.65 -162.58 22.35 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.8 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 85.9 mt -122.57 123.03 40.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.96 148.16 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.18 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -101.59 101.83 12.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.02 0.438 . . . . 0.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.18 116.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.397 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 65.57 -84.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.942 0.776 . . . . 0.0 109.678 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.78 5.2 1.5 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.017 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 24.6 mm-40 -106.76 142.47 36.34 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 -176.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -92.56 115.13 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.489 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 95.2 m95 -114.97 151.41 34.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.71 131.74 40.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.0 140.08 47.58 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.73 159.74 23.12 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -157.62 168.05 28.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.47 -11.43 66.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.866 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.62 167.87 11.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.42 119.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 94' ' ' LYS . 46.2 mt -110.44 132.82 53.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.328 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -95.27 174.88 6.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.95 0.405 . . . . 0.0 110.127 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.46 141.21 15.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.85 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.55 66.12 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.166 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 69.6 mm-40 -76.67 167.21 22.24 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.386 0.613 . . . . 0.0 111.685 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.97 128.07 55.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.235 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 94' ' ' LYS . 31.6 m -124.47 157.08 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -107.17 127.44 53.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.841 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 31.6 t -82.27 110.0 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.1 -41.91 12.02 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.44 177.88 10.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.56 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 87' ' ' GLY . 21.6 mt -120.16 122.4 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.34 5.91 49.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 0.0 111.066 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 142.08 -107.41 0.49 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.542 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.01 1.03 10.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 109.644 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.73 158.63 27.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.821 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.24 147.97 28.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.171 0.51 . . . . 0.0 110.401 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.26 107.58 20.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.043 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.8 m -125.63 153.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.94 155.03 50.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HB2' HD22 ' A' ' 74' ' ' LEU . 15.8 ttpp -83.79 141.33 31.47 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 -170.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mp -58.83 146.68 36.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.456 172.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.92 137.0 38.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.016 0.436 . . . . 0.0 111.227 -175.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.07 179.72 6.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.773 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.09 124.68 18.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.116 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 88.42 6.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.658 0.742 . . . . 0.0 111.573 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.3 73.81 2.6 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.668 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.344 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.36 159.63 28.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.872 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m -61.03 118.27 6.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 111.233 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -85.61 82.69 8.14 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -79.85 -27.56 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.188 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -79.68 89.24 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.821 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -154.0 147.35 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -134.96 166.68 22.46 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -93.8 95.8 9.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.055 0.455 . . . . 0.0 110.583 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -86.17 111.99 20.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 m -130.04 32.4 4.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.663 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -81.26 -19.39 43.18 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.544 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.67 -171.92 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.296 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -131.09 103.09 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 0.0 110.477 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 106.4 4.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -136.01 32.19 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.54 63.94 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 0.0 111.674 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -84.68 101.25 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -100.2 126.3 46.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 -171.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -70.8 130.38 41.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.59 111.58 3.73 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.779 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -90.61 108.75 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -86.75 176.43 7.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.17 86.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.03 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.51 43.83 1.17 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.934 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.69 80.41 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.472 0.653 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.06 83.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.06 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -130.8 12.76 5.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.282 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -91.31 1.37 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.48 159.18 42.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.85 87.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.173 2.582 . . . . 0.0 113.545 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.3 m -116.57 0.57 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.403 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.86 -167.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.8 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -79.83 122.28 26.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.932 0.396 . . . . 0.0 110.536 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.3 33.39 4.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.911 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -80.87 10.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 122.147 0.975 . . . . 0.0 110.316 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 39' ' ' ARG . 1.1 m -61.72 -178.95 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.653 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.88 24.74 0.09 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.625 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' SER . 20.2 ptp180 -87.29 -10.41 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.812 0.339 . . . . 0.0 111.054 -175.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -96.08 -16.65 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.376 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.17 120.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.949 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.72 68.28 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.207 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -111.68 158.7 18.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.969 0.385 . . . . 0.0 110.756 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -92.07 148.08 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.65 174.89 22.8 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.99 145.02 22.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.769 0.284 . . . . 0.0 110.525 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.22 121.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.595 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.2 mtp -101.18 -30.96 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 27.6 tt0 -131.33 140.99 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.327 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.25 123.61 13.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.458 0.647 . . . . 0.0 112.509 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 79.1 mt -92.83 124.9 45.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.78 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 19.2 p -105.99 165.82 12.37 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.278 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 38.2 Cg_endo -80.42 -6.2 13.62 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.161 1.907 . . . . 0.0 110.899 174.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -92.94 -55.68 3.26 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.861 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -119.4 -169.17 1.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -173.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -100.65 151.19 21.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.225 0.536 . . . . 0.0 111.072 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -111.16 179.03 19.82 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 173.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 86.9 mt -111.58 119.73 39.7 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.304 0.552 . . . . 0.0 111.103 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' THR . 29.0 m -114.52 160.38 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.118 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -123.94 121.28 34.89 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.0 t -123.44 119.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.705 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 67.67 -64.88 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.854 0.721 . . . . 0.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.43 -24.74 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.84 151.67 19.19 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.199 0.5 . . . . 0.0 110.304 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.2 t -100.63 127.79 46.9 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.795 0.807 . . . . 0.0 109.766 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -118.77 163.31 17.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.069 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -86.38 140.7 29.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.63 140.17 46.93 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.107 0.48 . . . . 0.0 111.943 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 p -124.5 144.44 50.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.076 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -151.22 -172.94 4.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.07 -1.57 33.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.018 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.39 166.23 19.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 61.9 t -87.67 99.1 8.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.076 0.465 . . . . 0.0 110.029 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -93.05 114.99 27.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.422 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -94.3 179.41 5.31 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -171.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.07 129.79 34.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.845 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.37 -8.56 38.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.39 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -84.92 175.89 8.81 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -126.75 143.96 51.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.4 m -124.08 158.99 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.459 -177.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.538 ' HB2' HD23 ' A' ' 95' ' ' LEU . 18.1 t -119.66 127.72 53.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.91 114.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.437 . . . . 0.0 111.185 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -81.21 -48.66 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.037 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.99 177.2 9.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.572 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -108.31 134.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.797 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.92 82.56 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.62 -113.44 4.23 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.042 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.44 -1.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.93 0.872 . . . . 0.0 109.319 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -109.05 162.53 14.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.311 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.4 mt -116.9 147.0 42.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.79 108.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 27.7 m -119.87 148.86 22.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.345 0.593 . . . . 0.0 112.36 -171.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -117.31 166.3 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -82.4 126.79 32.59 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.7 OUTLIER -97.78 140.6 31.91 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' HD13 ' A' ' 95' ' ' LEU . 8.3 tp10 -77.47 143.58 38.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.135 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.6 93.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -86.7 118.66 26.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.769 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -98.68 144.93 27.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.61 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.45 151.66 22.07 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.047 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.624 179.129 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.0 115.33 7.15 Favored Glycine 0 N--CA 1.449 -0.468 0 O-C-N 123.497 0.498 . . . . 0.0 112.676 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -93.38 88.36 5.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -82.88 96.01 8.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.699 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -130.62 162.99 28.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.143 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -85.09 -177.01 6.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -72.33 116.66 13.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.31 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -85.18 118.16 24.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.031 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -103.16 161.76 13.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.198 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.43 104.73 12.58 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -53.94 112.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.355 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -87.3 86.97 7.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.697 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.77 96.77 0.38 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 14' ' ' ARG . 64.0 mtt180 -92.1 93.8 8.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.713 0.292 . . . . 0.0 111.08 -174.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 103.56 8.36 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -151.55 113.26 4.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.463 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt 67.71 63.76 0.4 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 124.096 0.872 . . . . 0.0 110.307 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.64 170.71 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.541 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -92.56 137.14 32.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -92.38 -40.35 10.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.32 -166.62 39.66 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.032 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.37 91.53 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.255 0.55 . . . . 0.0 110.382 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -76.85 95.34 4.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.744 -172.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.19 8.38 43.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.838 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.56 159.13 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.687 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -104.38 18.14 22.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 110.448 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.07 124.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.404 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -77.33 102.67 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.264 0.554 . . . . 0.0 111.154 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.5 -175.49 41.23 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 pt-20 -148.07 145.21 20.19 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.963 0.381 . . . . 0.0 111.021 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 16.6 Cg_exo -67.51 134.05 31.91 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.838 2.358 . . . . 0.0 112.028 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 m -83.68 -35.43 24.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.257 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt 65.1 176.25 0.2 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.431 174.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -85.78 93.13 8.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.477 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.67 104.24 16.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.195 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.69 116.89 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.821 0.343 . . . . 0.0 110.135 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 m -141.39 103.96 4.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.544 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t70 45.87 73.63 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.547 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -143.56 -19.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 85' ' ' ILE . 97.3 mt -96.78 -1.4 46.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 84' ' ' ALA . 48.1 mm -69.17 115.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.678 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -4.22 55.72 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.492 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' HH11 ' A' ' 43' ' ' ARG . 13.6 mmt180 -75.15 156.26 36.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.234 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 30.5 mtpt -96.31 152.27 18.74 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.25 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.18 170.5 27.3 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.6 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -122.84 144.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 59' ' ' VAL . 51.8 t -84.69 112.98 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.909 0.385 . . . . 0.0 111.094 -177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.4 mmm -96.19 -34.14 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.472 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -122.98 132.99 54.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.08 134.23 56.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.643 0.589 . . . . 0.0 112.3 -171.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.532 HG12 ' HA3' ' A' ' 57' ' ' GLY . 70.4 mt -111.49 138.27 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.927 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -126.5 165.85 25.57 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.78 1.98 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.789 2.326 . . . . 0.0 112.775 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -130.86 -51.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -99.21 132.08 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.324 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 m -74.33 164.87 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -135.15 -162.38 9.72 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.041 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.6 mt -130.05 131.36 45.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.684 0.278 . . . . 0.0 110.56 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 47' ' ' VAL . 34.7 m -125.63 154.84 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.832 176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 28.5 ttpp -106.01 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.75 122.73 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.078 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.27 -78.36 0.05 OUTLIER 'General case' 0 C--O 1.234 0.279 0 O-C-N 124.026 0.829 . . . . 0.0 111.23 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.8 -3.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.067 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.01 154.67 45.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 117.041 0.42 . . . . 0.0 110.86 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 10.5 t -97.85 135.22 39.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.09 0.471 . . . . 0.0 109.833 174.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -128.24 164.68 22.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.916 -176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.529 ' HA ' HD23 ' A' ' 58' ' ' LEU . 4.0 mpt_? -78.08 138.38 38.73 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.82 144.11 50.68 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.698 -174.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 149.28 48.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.005 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 m -155.85 148.25 23.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.016 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.28 7.92 76.4 Favored Glycine 0 CA--C 1.516 0.134 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.716 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.4 m -131.38 169.14 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 72' ' ' THR . 6.8 p -87.35 126.1 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.793 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 94' ' ' LYS . 66.2 mt -125.88 117.74 23.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.785 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -88.93 177.03 6.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.168 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.42 128.94 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.32 -10.6 39.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.257 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.84 171.68 8.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.284 0.564 . . . . 0.0 111.653 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -120.6 133.95 55.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.3 m -122.71 156.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.908 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.48 ' HB2' HD23 ' A' ' 95' ' ' LEU . 32.6 t -115.75 130.28 56.79 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HA ' HG12 ' A' ' 92' ' ' VAL . 45.9 t -69.5 104.86 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.263 0.554 . . . . 0.0 110.113 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -79.04 -42.26 26.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.955 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -162.68 171.91 16.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.683 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.2 mt -117.71 132.16 68.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -132.68 102.62 5.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.977 0.418 . . . . 0.0 111.043 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.55 -115.64 7.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.835 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.1 10.78 9.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.775 0.798 . . . . 0.0 110.144 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -117.07 162.4 17.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.256 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.1 mt -110.14 144.91 38.08 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.051 0.453 . . . . 0.0 109.865 173.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.7 t -102.47 109.81 27.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.6 m -122.09 153.92 26.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.055 0.455 . . . . 0.0 111.389 -173.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -119.19 162.66 18.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.712 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 74' ' ' LEU . 54.8 tttp -82.33 130.94 35.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.416 0.627 . . . . 0.0 110.712 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.2 OUTLIER -99.71 155.01 17.85 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.699 173.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -89.62 121.14 31.53 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 3.1 pm0 -55.9 110.88 0.8 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.95 0.881 . . . . 0.0 110.713 -176.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.69 ' NE2' ' H ' ' A' ' 98' ' ' GLN . 0.5 OUTLIER -81.61 76.29 8.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.218 -173.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -82.23 72.58 9.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.849 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.04 -77.28 0.62 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.891 176.26 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.19 100.55 0.43 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -108.02 134.34 51.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.649 0.262 . . . . 0.0 111.072 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.7 m -121.93 100.86 7.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.459 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -137.44 135.5 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -119.41 151.52 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.867 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -121.36 95.47 4.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.401 0.62 . . . . 0.0 110.271 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -130.6 102.17 6.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.599 -175.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -138.34 114.76 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -94.12 106.6 18.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -122.01 170.44 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 t -82.19 146.77 29.36 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.05 -179.85 42.8 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.197 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 14' ' ' ARG . 10.6 mmt180 -99.67 153.16 19.31 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -81.65 160.89 23.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.684 0.278 . . . . 0.0 110.636 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -72.24 118.15 14.76 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.42 146.78 23.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.138 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -94.37 125.56 39.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.167 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -130.7 124.71 32.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.991 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.26 111.17 22.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.18 158.22 53.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.556 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.37 168.28 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.717 0.294 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm -82.02 133.85 35.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.25 131.1 36.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.945 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.3 88.34 3.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 26' ' ' ARG . 1.5 tpt180 -83.67 81.95 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -87.39 132.45 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.162 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 p -57.23 109.82 0.73 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.55 -14.16 1.06 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.558 -176.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE2' ' HA ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -82.64 156.27 68.12 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.626 0.25 . . . . 0.0 110.555 177.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 33.3 Cg_exo -61.96 -7.32 9.41 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.648 2.899 . . . . 0.0 114.239 -178.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.429 ' HA ' ' OE2' ' A' ' 30' ' ' GLU . 42.4 m 60.9 58.97 2.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.194 0.521 . . . . 0.0 110.978 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -80.76 169.52 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.569 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -56.96 126.42 27.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.725 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.26 121.11 19.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.32 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.5 117.21 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -63.98 136.17 57.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.388 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.72 -5.53 43.77 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -74.06 -4.23 34.27 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.161 0.505 . . . . 0.0 109.853 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -93.47 -10.12 36.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.431 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.1 mm -69.26 122.88 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.02 -1.82 71.1 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.928 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -95.32 165.81 12.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.928 0.394 . . . . 0.0 111.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -91.93 155.86 17.86 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.994 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.1 167.15 28.41 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.6 143.98 22.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 117.291 0.545 . . . . 0.0 110.489 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.34 113.17 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.428 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.3 mmm -91.22 -34.5 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.7 tp10 -132.06 146.77 52.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.38 135.75 57.75 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 111.237 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 65.9 mt -114.65 132.48 63.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -129.68 162.84 50.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.908 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.46 -42.54 64.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.496 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -84.39 -46.62 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -108.24 104.18 13.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.459 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 m -67.17 152.55 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -157.08 12.59 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.284 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 91.0 mt -124.85 133.27 53.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 m -129.1 150.46 34.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.963 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -110.08 118.21 35.81 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.89 110.01 29.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.71 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.894 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.43 -6.94 1.53 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.935 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.69 139.81 39.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.975 0.417 . . . . 0.0 110.57 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.3 m -97.95 123.19 41.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.1 165.8 16.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.773 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -90.34 152.15 21.15 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.363 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.0 140.91 25.9 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.835 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -119.76 164.5 15.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.252 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -166.1 170.4 13.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.01 -14.59 51.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.5 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.81 167.45 9.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.58 113.84 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.513 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 82.9 mt -102.04 131.42 48.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -99.87 170.99 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.418 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.33 131.84 32.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.94 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.54 -13.3 43.01 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.19 170.47 16.48 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.427 0.632 . . . . 0.0 111.666 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -117.64 141.87 47.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.554 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 22.7 m -124.28 160.4 28.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.012 0.434 . . . . 0.0 111.321 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -111.55 127.66 55.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.339 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -74.18 111.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -84.97 -51.44 6.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.079 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.19 168.62 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.449 . . . . 0.0 111.405 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 87' ' ' GLY . 12.5 mm -109.54 125.94 66.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.2 6.49 47.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.27 0.557 . . . . 0.0 110.678 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 122.13 -102.47 0.8 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.853 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.597 HG13 ' HG3' ' A' ' 89' ' ' LYS . 11.6 p -80.23 -15.79 12.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.204 0.526 . . . . 0.0 111.26 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HG13 ' A' ' 88' ' ' VAL . 34.3 mtmm -124.63 178.19 5.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.057 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -120.54 150.38 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.706 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -102.58 109.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.2 m -125.15 159.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.178 0.514 . . . . 0.0 111.359 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.67 162.67 29.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.128 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -70.83 131.19 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.364 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.2 134.61 53.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.12 94.63 8.4 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.023 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.19 93.18 7.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 166.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -94.66 159.83 14.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.36 -172.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 37.9 mtmt 68.58 -163.54 0.19 Allowed 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.897 0.748 . . . . 0.0 110.411 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.62 -171.76 41.42 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 C--O 1.252 1.198 0 CA-C-O 119.084 -0.484 . . . . 0.0 110.887 179.567 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttp . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.003 0.43 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.78 0.83 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.326 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -68.7 126.28 29.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.307 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 p -81.68 113.89 19.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.319 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -113.17 98.15 6.95 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -110.62 136.61 49.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -139.94 150.99 45.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.665 0.269 . . . . 0.0 110.643 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -113.25 107.41 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -138.87 135.1 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -103.13 136.3 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.104 0.478 . . . . 0.0 111.198 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 p -114.0 98.44 6.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.635 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -130.19 148.27 52.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.876 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.14 148.77 4.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.244 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -135.15 150.67 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.4 125.8 51.45 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 169.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.24 146.1 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.044 0.449 . . . . 0.0 111.055 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -148.5 161.42 41.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.72 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -138.55 149.86 45.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.981 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.51 -65.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.046 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 60.16 93.78 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.826 0.704 . . . . 0.0 110.742 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.61 165.57 12.06 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.682 -0.77 . . . . 0.0 113.015 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 71.5 169.47 0.32 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.488 0.715 . . . . 0.0 110.324 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 ttt -77.35 82.35 3.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.01 134.02 17.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.013 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.85 -166.75 0.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.732 0.645 . . . . 0.0 111.229 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER 64.09 97.76 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.203 0.601 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 48.4 pt -74.82 -175.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.765 HG22 ' H ' ' A' ' 29' ' ' GLY . 1.5 m 70.39 -166.7 0.16 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -176.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.765 ' H ' HG22 ' A' ' 28' ' ' THR . . . -66.78 158.92 49.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.426 -0.416 . . . . 0.0 113.554 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -76.24 160.31 78.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.345 . . . . 0.0 111.076 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.84 118.1 4.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.326 2.017 . . . . 0.0 110.729 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.2 m -105.22 157.94 16.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -92.46 -172.79 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.952 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -76.47 95.32 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.9 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.4 120.7 24.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG12 HD13 ' A' ' 85' ' ' ILE . 7.8 t -57.71 115.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.318 0.58 . . . . 0.0 111.12 -172.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 m -100.67 171.8 7.48 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.152 -177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.1 18.21 1.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.839 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.14 -20.54 64.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.938 0.399 . . . . 0.0 111.025 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.13 -11.68 46.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 HD11 HG13 ' A' ' 85' ' ' ILE . 50.2 mm -82.11 128.36 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.004 -174.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.64 5.74 66.48 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.581 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -109.09 167.56 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.212 0.529 . . . . 0.0 111.614 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HE2' ' HG ' ' A' ' 95' ' ' LEU . 40.9 ttmt -91.2 143.88 26.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.304 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.0 172.74 19.58 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 p -124.17 142.93 39.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -87.32 111.15 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.75 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.551 ' HG3' ' HB2' ' A' ' 60' ' ' LYS . 26.9 mmt -91.57 -37.79 12.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 40.9 tt0 -120.43 133.21 55.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.086 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.43 33.7 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.884 0.74 . . . . 0.0 111.691 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 59.0 mt -109.04 137.46 40.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.941 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -135.97 165.22 37.45 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.698 0.285 . . . . 0.0 110.642 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.17 -10.47 27.39 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.949 2.432 . . . . 0.0 111.773 172.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -102.84 -51.26 3.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.096 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -122.62 135.66 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -74.04 157.32 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.005 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.55 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.94 -156.97 10.1 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ARG . 93.5 mt -132.16 138.76 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.09 143.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.665 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HB2' ' HG3' ' A' ' 48' ' ' MET . 34.6 tttp -108.76 122.38 47.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.962 0.41 . . . . 0.0 110.183 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.59 91.58 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.552 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 50.25 67.61 0.89 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.913 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.33 2.52 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.214 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.08 132.2 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -104.85 113.51 27.14 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.552 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -107.23 164.49 12.13 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.078 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.797 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . 64.9 mtt180 -82.14 160.53 23.09 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.676 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.17 140.76 22.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.996 0.427 . . . . 0.0 110.521 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -133.49 162.17 32.6 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 t -160.76 168.12 25.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.44 13.1 67.43 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 172.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.59 167.37 18.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.84 129.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 80' ' ' VAL . 65.9 mt -121.75 125.57 46.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.182 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 171.77 9.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.765 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.19 125.6 34.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.364 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 0.33 54.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.308 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.0 164.56 26.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.333 0.587 . . . . 0.0 111.784 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.94 121.51 45.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.258 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 74' ' ' LEU . 27.3 m -123.97 152.44 29.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.856 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 m -100.98 128.31 47.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.408 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.613 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -85.63 115.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.979 0.418 . . . . 0.0 110.636 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.22 -53.63 5.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.266 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.91 170.4 19.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.334 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.498 HD13 HG12 ' A' ' 36' ' ' VAL . 49.9 mt -112.21 138.18 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.499 ' OE2' ' HE3' ' A' ' 89' ' ' LYS . 36.3 tt0 -134.99 82.86 1.98 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.73 -111.15 3.35 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.583 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.64 -2.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.475 0.655 . . . . 0.0 110.239 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 51.1 pttt -124.86 166.22 16.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.265 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.7 mt -120.01 150.1 41.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.473 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.7 107.54 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 82' ' ' VAL . 33.5 m -126.67 170.69 16.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.256 0.55 . . . . 0.0 112.199 -172.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.21 175.7 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.288 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.71 ' HG ' ' HE2' ' A' ' 44' ' ' LYS . 2.3 mm? -63.37 156.66 25.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.119 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -79.14 145.15 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -143.42 144.75 32.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -116.02 -5.02 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 65.27 -168.34 0.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.232 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.898 176.577 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 126.96 92.62 0.81 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -109.8 89.39 3.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.073 0.463 . . . . 0.0 110.96 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -136.46 84.7 2.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -77.58 128.59 34.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -86.83 142.39 28.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.329 0.585 . . . . 0.0 111.54 -171.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -129.76 103.44 6.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.432 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -81.81 132.04 35.27 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -123.79 68.08 1.03 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.628 0.728 . . . . 0.0 109.513 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -150.4 135.73 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.371 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -57.83 116.29 3.37 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.487 0.492 . . . . 0.0 110.968 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -73.08 89.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.947 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 -93.69 1.72 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.923 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 67.02 136.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.598 0.713 . . . . 0.0 111.808 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -75.17 143.48 43.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.586 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.43 159.07 16.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.7 pt? -110.89 174.68 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.747 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -158.02 107.96 2.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 t80 69.76 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.658 0.742 . . . . 0.0 111.866 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -94.93 106.07 18.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.07 -165.78 22.32 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -140.47 -39.57 0.43 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.168 0.484 . . . . 0.0 110.942 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.3 ttm 69.14 137.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.715 0.634 . . . . 0.0 111.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.22 85.4 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 0.0 110.362 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.74 123.28 49.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.146 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -145.41 142.53 29.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -94.04 154.65 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.217 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -93.54 140.42 29.62 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.181 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -141.24 -67.07 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . 9.1 mp0 -108.21 88.22 4.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 29' ' ' GLY . 43.0 Cg_exo -56.38 -37.41 97.1 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.573 2.182 . . . . 0.0 112.288 -177.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -152.77 91.74 1.58 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.139 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 30' ' ' GLU . 39.3 ttpt -96.87 104.66 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -94.78 107.31 19.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.132 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.52 43.71 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 p -54.57 117.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.808 0.813 . . . . 0.0 110.503 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m -113.86 137.64 51.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.527 -176.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -74.21 -10.04 59.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.906 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.225 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.46 -9.6 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD11 ' A' ' 85' ' ' ILE . 46.5 mm -89.29 133.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -176.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.52 3.15 61.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.508 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -100.1 173.35 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.637 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HE2' HD13 ' A' ' 95' ' ' LEU . 39.4 ttmt -84.84 143.94 28.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.43 165.85 23.09 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.28 144.82 27.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 t -85.92 116.88 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.248 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.401 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 79.8 mtp -94.7 -37.95 11.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.13 175.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.2 tp10 -120.72 135.67 55.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.02 123.41 15.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.765 0.666 . . . . 0.0 112.086 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.438 HG12 ' HA3' ' A' ' 57' ' ' GLY . 74.9 mt -91.81 123.62 44.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 22.8 p -124.7 165.08 27.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 62.9 Cg_endo -78.93 -5.51 14.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.052 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -108.02 -34.83 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.22 135.68 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m -70.36 154.79 41.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.291 -174.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -173.57 18.85 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.364 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 6.8 mp -125.36 128.64 48.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.696 0.284 . . . . 0.0 110.56 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 80' ' ' VAL . 20.0 m -115.97 142.69 28.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 22.2 tttp -103.43 114.41 28.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.027 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.09 87.3 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.715 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.97 -70.37 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.937 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.51 -11.31 2.46 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.536 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.27 158.52 15.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 m -132.46 117.58 18.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -119.39 165.13 14.72 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.606 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -80.42 150.42 29.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.62 140.22 35.02 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.685 -174.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.498 HG21 ' HD2' ' A' ' 89' ' ' LYS . 20.2 p -129.5 139.3 51.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.605 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -152.1 165.9 33.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.81 -22.4 49.85 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.288 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 169.08 11.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.32 129.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 80' ' ' VAL . 46.7 mt -127.18 120.48 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.316 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.57 -179.98 5.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.627 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.21 138.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.354 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.67 -7.81 71.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.903 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -77.21 173.4 11.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.27 0.557 . . . . 0.0 111.687 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.07 129.77 55.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.802 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 74' ' ' LEU . 35.8 m -117.94 146.01 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.341 0.591 . . . . 0.0 111.316 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -105.15 122.05 45.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.395 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.8 t -79.35 110.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.85 0.357 . . . . 0.0 110.189 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -83.21 -47.54 11.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.397 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -158.12 179.24 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.027 0.441 . . . . 0.0 111.774 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 41' ' ' ILE . 37.2 mt -109.47 138.76 35.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.92 79.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.5 -117.26 6.55 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.72 0.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.892 0.853 . . . . 0.0 109.687 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HD2' HG21 ' A' ' 69' ' ' THR . 28.3 mtmt -106.84 154.02 21.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.33 141.5 38.59 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -89.54 106.69 17.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.0 m -128.09 161.47 36.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 -172.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -149.42 169.51 20.69 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.215 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HD3' ' HG2' ' A' ' 97' ' ' GLU . 80.4 tttt -68.24 140.79 56.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -84.52 145.42 28.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.627 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 96' ' ' GLU . 35.9 tt0 71.78 24.6 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.892 0.854 . . . . 0.0 109.526 -175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.639 ' HG2' ' HD3' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -91.05 131.24 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.41 176.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.31 -169.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.695 0.622 . . . . 0.0 110.845 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -108.06 55.91 0.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.23 -146.6 13.85 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.951 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.618 -176.868 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 123.14 -55.75 0.68 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -96.1 50.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 0.0 109.886 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 p -84.27 -72.94 0.44 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.355 -174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.4 m80 61.58 -81.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.584 0.552 . . . . 0.0 110.067 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 34.8 t-80 65.37 18.01 11.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.774 0.429 . . . . 0.0 111.802 167.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 82.3 m-70 67.9 146.38 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -175.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -85.96 84.78 7.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.58 128.02 28.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.21 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -83.27 -1.11 52.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.466 -173.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 m 68.01 16.81 9.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 m -77.25 147.13 36.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.36 178.81 17.95 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.131 -1.033 . . . . 0.0 113.328 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 16' ' ' ASN . 25.8 mmm180 -95.76 121.81 37.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.307 -0.447 . . . . 0.0 110.549 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.38 -20.25 37.57 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 10.1 t-20 -108.88 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 175.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.87 160.49 32.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.856 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -78.15 128.42 33.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.954 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -94.42 104.02 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.544 0.688 . . . . 0.0 109.86 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -97.67 163.88 12.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.657 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.3 -150.0 43.11 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.826 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 62.4 35.92 14.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.211 0.529 . . . . 0.0 110.34 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.5 157.75 44.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.084 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.96 93.28 3.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.3 145.38 33.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.045 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -128.06 99.4 5.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.297 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt 68.05 103.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.918 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -86.1 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.056 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.72 -15.58 13.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.315 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 143.8 41.38 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.403 -0.398 . . . . 0.0 110.349 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -85.45 90.75 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.527 2.151 . . . . 0.0 111.295 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -119.57 163.56 17.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.666 ' HG3' ' H ' ' A' ' 34' ' ' LYS . 38.9 tptt 67.35 -167.09 0.2 Allowed 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.695 0.622 . . . . 0.0 109.346 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.666 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 60.7 mttm -83.98 101.44 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.937 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.45 -171.47 1.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.811 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.14 122.11 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.549 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.9 m -97.1 141.6 30.04 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.669 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.502 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.4 p-10 -76.35 -3.43 36.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -63.67 -29.47 70.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.105 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -87.96 -11.76 46.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 38' ' ' ASP . 35.4 mm -82.68 132.11 32.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.956 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.71 68.05 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.713 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -99.21 164.13 12.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.75 0.309 . . . . 0.0 110.513 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -94.9 144.66 25.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -137.6 -172.89 12.7 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.17 144.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 120.756 0.312 . . . . 0.0 110.437 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.3 118.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 3.0 mmt -100.42 -34.24 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 0.0 110.174 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 7.9 tp10 -121.25 137.98 54.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.706 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.51 129.58 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.667 0.604 . . . . 0.0 111.312 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 80.2 mt -103.28 120.06 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.959 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 p -136.92 159.19 71.1 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.68 -29.71 84.13 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.869 2.379 . . . . 0.0 111.563 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -72.22 -51.74 19.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.548 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -133.97 130.02 37.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.988 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -70.32 154.65 41.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.137 0.494 . . . . 0.0 111.06 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.66 -164.08 21.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.752 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 81.6 mt -130.29 123.91 31.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.721 0.296 . . . . 0.0 110.58 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.99 140.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -109.01 105.64 15.25 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.324 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 47.3 t -116.56 107.09 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.0 t70 66.36 10.86 7.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.35 174.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.33 -21.93 9.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.13 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -87.16 144.63 26.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -114.17 122.81 47.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.93 0.395 . . . . 0.0 110.167 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -125.46 165.34 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.239 -178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -81.44 153.43 26.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.7 142.21 33.33 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.33 0.586 . . . . 0.0 112.441 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 p -134.27 157.98 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.591 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 t -162.94 160.89 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.5 -8.04 88.05 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.2 m -116.21 169.71 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' H ' HG22 ' A' ' 72' ' ' THR . 7.5 p -95.83 132.06 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 53.2 mt -123.36 127.43 48.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.32 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.26 178.01 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.33 136.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.947 -174.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -7.96 67.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.299 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.76 169.64 17.91 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.336 0.589 . . . . 0.0 111.366 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -114.18 135.03 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.847 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 18.9 m -125.65 153.22 33.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.016 0.436 . . . . 0.0 111.609 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.573 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 43.1 t -110.27 124.88 52.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.189 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.3 t -71.32 105.35 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -92.78 -45.32 8.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -173.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.86 -177.74 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.559 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.6 mt -128.26 143.0 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.466 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.82 90.81 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.81 -119.55 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.27 7.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.622 . . . . 0.0 109.894 175.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -108.12 139.68 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.224 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.26 148.24 22.62 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.841 0.353 . . . . 0.0 110.28 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.26 108.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 23.1 m -116.43 153.9 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.082 0.468 . . . . 0.0 111.569 -172.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.573 ' HG3' ' HB3' ' A' ' 81' ' ' SER . 7.4 pt-20 -117.34 162.93 17.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.868 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -77.43 124.19 27.56 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 96' ' ' GLU . 2.7 tm? -90.14 135.54 33.6 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.758 -178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' N ' HD13 ' A' ' 95' ' ' LEU . 5.5 tp10 -121.75 131.95 54.35 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.079 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.93 127.2 32.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.733 -177.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.16 -34.13 56.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.538 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 99' ' ' LYS . 23.8 ttmm 60.04 72.02 0.54 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.498 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.63 -109.78 0.61 Allowed Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.967 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.125 -179.612 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.79 159.81 30.57 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.593 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -77.17 105.6 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.094 0.473 . . . . 0.0 110.501 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 m -68.78 109.67 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.383 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -127.15 110.52 12.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 0.0 111.056 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -157.85 123.96 4.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.667 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -117.81 169.44 9.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -78.45 149.73 33.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.211 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -138.87 139.69 38.19 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -126.1 164.11 21.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.702 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -79.56 104.36 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m -107.62 125.37 51.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.44 -178.53 45.34 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -145.27 142.54 29.57 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.14 171.04 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.705 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -142.42 174.17 10.87 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -96.76 -158.81 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.596 0.236 . . . . 0.0 110.885 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -83.17 157.74 22.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.36 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.76 103.51 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HG3' ' H ' ' A' ' 22' ' ' HIS . 12.2 pt20 -74.55 -10.28 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.055 -173.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.49 -15.22 13.76 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.947 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' H ' ' HG3' ' A' ' 20' ' ' GLN . 77.6 t60 -70.39 97.99 1.35 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 0.0 110.668 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.5 ttm -162.32 -71.6 0.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.91 -178.32 6.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.217 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.3 22.97 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.553 . . . . 0.0 110.769 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -87.71 101.26 13.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.534 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -61.68 140.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.474 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.6 m -135.57 116.41 14.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.61 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.71 141.59 17.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 35.2 tt0 -107.48 142.29 24.83 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 34.4 Cg_exo -61.23 112.8 1.51 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.857 2.371 . . . . 0.0 112.274 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m -146.47 -177.19 5.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -89.82 -167.3 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -49.81 109.05 0.24 Allowed 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.562 0.539 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.86 151.41 30.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.742 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.97 129.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.39 0.614 . . . . 0.0 110.579 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -106.01 145.2 31.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.264 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.09 -2.47 40.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -74.77 -1.93 24.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.964 0.411 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -91.19 -8.87 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -82.58 123.78 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.304 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.42 6.61 58.56 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.083 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -88.09 158.18 18.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.57 144.38 25.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.614 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.32 164.84 22.78 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 p -118.17 143.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 113.37 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.859 0.361 . . . . 0.0 110.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mmt -96.66 -34.48 11.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.117 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -124.35 142.73 51.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.444 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.98 122.92 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.805 0.69 . . . . 0.0 111.907 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.545 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.0 mt -95.18 119.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.674 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 p -131.67 163.28 50.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 0.0 111.421 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.03 -6.64 16.5 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.159 2.572 . . . . 0.0 111.993 171.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.41 -56.2 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.386 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -131.74 138.31 48.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.908 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -66.47 146.71 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -99.88 -173.13 30.42 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.616 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -121.9 127.01 49.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.838 0.351 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.3 147.45 24.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.621 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -110.44 109.03 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.001 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.1 t -88.12 90.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.184 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 69.86 -67.82 0.22 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.728 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 11.8 1.91 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.112 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -124.99 144.49 50.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.11 0.455 . . . . 0.0 110.812 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.4 m -99.47 121.2 40.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.086 0.47 . . . . 0.0 110.715 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -129.57 164.76 23.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.974 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.523 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.4 mpt_? -84.94 170.73 12.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.26 139.99 19.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.875 0.369 . . . . 0.0 111.296 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -119.52 134.19 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.216 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 t -137.46 168.55 19.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 -18.21 42.09 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -115.61 160.64 19.74 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 122.444 0.298 . . . . 0.0 110.292 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.2 121.09 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.439 0.638 . . . . 0.0 110.393 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.515 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 66.2 mt -111.66 122.98 49.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -93.95 176.74 6.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.354 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.34 124.97 30.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.766 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.11 2.74 41.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.504 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.62 164.38 23.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.31 0.576 . . . . 0.0 111.922 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -112.44 123.24 49.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.864 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.87 147.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.775 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.9 m -100.11 126.09 46.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.894 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 38.3 t -81.13 112.7 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -85.14 -45.93 11.59 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.62 158.47 42.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.512 HG12 HD22 ' A' ' 90' ' ' LEU . 65.2 mt -102.82 132.88 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -124.38 79.58 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.52 -115.97 5.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.904 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.39 7.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.336 0.589 . . . . 0.0 110.858 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 10.5 ptpp? -126.23 154.97 42.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 85' ' ' ILE . 56.6 mt -109.18 149.32 29.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.144 0.497 . . . . 0.0 111.438 -175.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 106.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 34.9 m -126.78 160.04 35.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.981 -172.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.58 161.81 31.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.538 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.11 137.74 45.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.68 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 150.77 16.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 174.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -80.89 128.3 33.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.598 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -94.39 103.57 15.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.502 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -103.93 141.23 36.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.736 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.52 14.51 11.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.301 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.75 -35.39 4.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.987 177.456 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.723 0.296 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.84 58.29 1.93 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.134 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -69.3 109.04 3.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.312 . . . . 0.0 110.398 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -83.51 137.18 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.223 0.535 . . . . 0.0 110.961 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -117.26 110.36 18.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.945 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -111.95 123.49 50.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.994 0.426 . . . . 0.0 111.535 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -159.8 124.53 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.666 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.89 117.69 32.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -100.64 94.32 6.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.867 0.841 . . . . 0.0 110.117 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -95.25 99.6 11.52 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 p -68.67 131.06 44.56 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.922 -174.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -85.56 125.6 33.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.76 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.55 88.08 0.15 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.76 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 14' ' ' ARG . 13.4 ttp180 -98.02 106.27 18.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.923 0.392 . . . . 0.0 109.98 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 17' ' ' LEU . 10.2 tp10 -144.11 162.65 35.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.01 108.3 3.02 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.134 0.271 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 15' ' ' GLU . 6.1 mp -75.5 84.26 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.272 0.558 . . . . 0.0 110.212 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -132.66 -1.52 3.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.242 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -86.81 61.42 6.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.298 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -157.17 92.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.58 27.72 7.83 Favored Glycine 0 N--CA 1.454 -0.147 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.549 -171.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -148.84 105.34 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.028 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -122.7 116.28 23.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.201 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.51 97.12 2.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.135 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.08 163.15 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.962 0.41 . . . . 0.0 110.862 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 26' ' ' ARG . 8.4 ptm180 -122.63 118.03 27.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.413 0.625 . . . . 0.0 109.692 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 27' ' ' ILE . 2.9 mp -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.829 -168.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 m -91.04 113.75 26.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.411 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.1 155.54 16.15 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.478 -176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -121.44 85.92 43.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.36 98.13 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 111.566 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -102.65 111.66 24.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.34 -175.06 4.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HE3' ' HB2' ' A' ' 34' ' ' LYS . 32.3 ttmt -97.41 115.01 26.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.841 0.353 . . . . 0.0 110.421 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.74 163.28 12.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.033 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.3 115.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.095 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -106.42 143.3 34.74 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.139 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -83.02 0.41 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.856 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -78.82 6.47 8.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.241 0.543 . . . . 0.0 111.094 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 61' ' ' VAL . 85.0 mt -81.98 -15.72 52.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.549 -0.75 . . . . 0.0 108.98 171.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.706 HD11 HG13 ' A' ' 85' ' ' ILE . 46.9 mm -76.21 124.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.126 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.47 0.06 59.61 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.93 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.62 153.65 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -86.72 143.35 27.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.791 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 163.08 24.11 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.31 142.97 28.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-O 120.941 0.4 . . . . 0.0 110.283 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -87.07 110.55 20.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.6 mmt -93.46 -30.39 15.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.023 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -131.48 138.51 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 134.49 56.13 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.879 0.737 . . . . 0.0 111.865 -174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.493 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.1 mt -100.95 115.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.816 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.89 166.6 20.41 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.42 -34.33 54.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.845 2.364 . . . . 0.0 112.203 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.36 -44.22 13.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -123.15 126.34 46.84 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 110.602 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 151.99 42.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.315 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -103.6 178.95 25.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.556 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.405 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.9 mt -120.22 125.58 48.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.016 0.436 . . . . 0.0 111.162 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.38 159.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.07 120.39 27.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 40' ' ' LEU . 42.8 t -109.26 103.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.917 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 67.24 -74.96 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.93 0.768 . . . . 0.0 111.651 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.75 -1.47 2.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.831 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -111.13 138.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -98.91 120.63 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.318 0.58 . . . . 0.0 110.056 175.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -117.24 160.58 20.85 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.106 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HD3' HG12 ' A' ' 88' ' ' VAL . 9.0 mpt_? -86.81 161.57 18.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.62 146.15 31.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.919 0.39 . . . . 0.0 111.829 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.401 ' OG1' ' HD3' ' A' ' 89' ' ' LYS . 31.7 p -132.2 142.13 49.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.659 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 t -152.7 160.79 43.14 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.42 74.27 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.327 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.7 p -100.7 144.7 29.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.511 0.196 . . . . 0.0 110.978 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.8 131.24 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.037 0.446 . . . . 0.0 109.87 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.3 mt -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.182 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.13 164.89 14.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.171 0.51 . . . . 0.0 111.184 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.28 139.78 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.441 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -11.27 61.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.278 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -78.2 172.43 13.57 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.281 0.562 . . . . 0.0 111.721 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.21 138.92 54.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.335 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.2 m -130.64 156.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.104 0.478 . . . . 0.0 112.116 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -103.45 121.47 42.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.492 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.6 t -77.02 109.76 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -97.74 -34.89 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.466 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.85 156.63 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.525 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.706 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -111.79 133.11 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.52 97.29 2.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 -123.14 5.94 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.611 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG12 ' HD3' ' A' ' 67' ' ' ARG . 7.3 t -105.69 2.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.686 0.755 . . . . 0.0 109.521 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HD3' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -123.61 151.23 43.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.324 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG12 ' A' ' 85' ' ' ILE . 56.7 mt -99.57 150.32 22.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.555 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 52.1 t -95.9 107.34 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 172.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.2 m -120.07 160.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.32 0.581 . . . . 0.0 112.069 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -119.87 159.26 24.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.29 140.13 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.13 152.21 17.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.28 111.97 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -174.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 119.68 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.29 116.27 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.451 -173.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -72.46 -27.84 62.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.423 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 144.31 -36.97 1.43 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.353 -0.832 . . . . 0.0 108.887 174.319 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.5 128.44 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -76.04 104.93 6.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.079 0.466 . . . . 0.0 111.177 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -88.38 71.84 8.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.424 0.631 . . . . 0.0 110.292 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -108.2 130.73 55.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.967 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -151.27 105.24 3.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.158 0.504 . . . . 0.0 110.573 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -75.35 109.83 9.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -118.89 115.5 24.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.959 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -133.05 88.3 2.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -91.72 97.69 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.755 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -101.54 110.76 22.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.797 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 p -148.67 96.05 2.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.155 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.18 -42.74 66.05 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 50.8 ttt180 70.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.532 0.733 . . . . 0.0 111.413 172.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 14' ' ' ARG . 45.8 mt-10 -136.18 83.16 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' H ' HD12 ' A' ' 17' ' ' LEU . 4.8 p-10 -135.64 18.91 3.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.89 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 16' ' ' ASN . 5.9 mp -83.69 84.44 7.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.977 -175.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 88.1 t80 71.0 134.34 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.755 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -162.77 -33.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.715 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.11 116.91 30.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.77 -90.65 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.91 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 63.16 40.57 8.79 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.052 0.453 . . . . 0.0 110.821 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 65.73 -179.02 0.19 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.064 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.83 -176.03 3.31 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.9 110.0 0.07 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.122 0.889 . . . . 0.0 112.265 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -138.98 133.48 31.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.672 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 tt -140.07 110.28 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.425 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.57 169.39 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.654 -174.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.91 172.95 19.26 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.391 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 47.0 mt-10 -114.6 149.14 41.77 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 Cg_exo -69.0 79.35 0.71 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.766 2.311 . . . . 0.0 111.971 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.0 p -72.33 105.53 4.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.958 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -83.82 147.4 27.59 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.576 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' NZ ' ' HB3' ' A' ' 34' ' ' LYS . 4.2 ttpm? 67.48 84.28 0.16 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.537 -176.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.8 158.79 16.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.016 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -102.58 115.92 45.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.992 0.425 . . . . 0.0 110.618 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -93.71 149.33 21.32 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.557 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.62 3.81 10.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -76.58 -9.44 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.919 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HA ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 mt -88.49 -11.68 45.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.126 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.75 121.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.66 15.85 48.11 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.206 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 8.2 mmp_? -93.46 159.87 15.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.099 0.476 . . . . 0.0 110.607 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -86.77 143.39 27.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.442 176.802 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.608 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -140.99 171.91 23.92 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -125.45 143.0 40.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.656 0.265 . . . . 0.0 110.496 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.8 t -87.28 109.75 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.8 mtp -95.13 -36.02 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.964 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 11.0 tp10 -120.07 134.83 55.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.78 124.9 17.96 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.586 0.554 . . . . 0.0 111.954 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.541 HG12 ' HA3' ' A' ' 57' ' ' GLY . 66.8 mt -101.13 126.23 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.134 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 p -128.69 160.67 61.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.2 -32.09 86.2 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.756 2.304 . . . . 0.0 111.924 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -84.58 -58.83 2.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.215 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.67 129.75 55.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -173.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -67.53 158.3 32.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.475 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -118.98 -164.09 12.66 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.3 mt -127.12 128.63 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.958 0.408 . . . . 0.0 111.242 -176.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.71 155.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -121.07 115.27 22.81 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.908 0.385 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.19 71.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 65.13 -76.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.457 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.53 -32.26 8.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.29 -174.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -117.43 141.79 47.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -99.45 122.56 42.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.326 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.41 156.47 27.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.17 141.02 32.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.9 140.48 46.84 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.148 0.499 . . . . 0.0 111.965 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 p -114.7 144.42 43.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.871 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 m -145.01 158.51 43.79 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.208 0.317 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 7.52 70.5 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.46 168.39 15.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.21 110.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 80' ' ' VAL . 76.0 mt -101.6 125.63 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 110.856 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.58 161.07 21.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.853 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.22 131.85 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 1.0 61.55 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.297 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.91 164.72 24.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.476 0.655 . . . . 0.0 111.701 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -114.75 124.56 52.08 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.15 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 74' ' ' LEU . 26.8 m -125.62 154.28 34.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.048 0.451 . . . . 0.0 111.894 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m -102.92 130.53 50.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.897 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -77.4 105.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -90.2 -33.01 16.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.266 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.27 179.23 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.8 mt -125.15 136.19 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -133.61 110.36 9.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.89 -114.67 4.28 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 88' ' ' VAL . 13.6 t -119.45 8.22 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.882 0.849 . . . . 0.0 108.913 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -110.25 153.48 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.393 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.22 148.1 23.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.288 0.566 . . . . 0.0 110.768 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.56 100.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.9 m -117.21 157.53 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -174.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -146.09 155.65 42.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 40.4 tttp -66.56 142.97 57.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.165 -171.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.714 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 8.0 mp -70.26 -179.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.839 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 96' ' ' GLU . 37.5 tt0 67.49 35.37 4.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.586 0.707 . . . . 0.0 109.918 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 151.09 36.45 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 64.62 43.04 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.42 106.45 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.122 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.57 -117.3 3.56 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -174.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.614 175.083 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 ttp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.64 0.257 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.99 85.35 1.56 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.231 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -65.61 -64.11 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 p 41.0 79.18 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -80.23 80.66 6.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.874 0.369 . . . . 0.0 110.088 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -71.09 110.55 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.864 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -94.8 139.5 31.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.162 0.506 . . . . 0.0 111.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -111.87 118.7 36.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.083 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -64.79 108.55 1.77 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.494 0.664 . . . . 0.0 110.561 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -88.78 75.12 8.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -100.25 113.69 26.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.44 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -68.32 89.45 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.55 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.72 -72.04 1.14 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 173.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -135.52 31.23 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.593 0.235 . . . . 0.0 110.658 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -72.99 89.61 1.44 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.431 0.634 . . . . 0.0 109.914 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -139.36 117.57 11.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.592 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt -113.05 116.62 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -70.92 109.18 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -93.03 103.16 15.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.035 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -97.44 110.68 23.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.096 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 97.43 0.12 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.895 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -87.6 148.81 24.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.01 132.09 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 110.738 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.59 163.82 22.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.679 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 128.86 34.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.307 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.645 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 2.3 tpp180 -92.05 119.13 31.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.51 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.433 ' O ' ' HB ' ' A' ' 28' ' ' THR . 2.9 mp -99.2 -63.38 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 176.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.645 ' OG1' ' HD2' ' A' ' 26' ' ' ARG . 89.3 m 73.29 131.44 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 111.48 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.94 177.12 19.1 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.645 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.54 153.43 87.64 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.746 0.308 . . . . 0.0 111.006 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.01 -4.25 9.86 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.09 2.527 . . . . 0.0 112.792 175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 t -66.08 158.61 28.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.296 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -77.68 -11.35 59.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -103.25 11.46 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.853 0.835 . . . . 0.0 109.941 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.38 159.88 33.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.607 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 p -83.32 111.21 19.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.909 0.862 . . . . 0.0 111.212 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 m -81.91 130.79 35.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.888 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.48 20.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.683 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -79.2 0.32 28.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.694 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -85.0 -19.87 31.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.091 0.472 . . . . 0.0 109.886 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 85' ' ' ILE . 50.0 mm -61.69 122.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.88 67.47 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.68 -0.771 . . . . 0.0 113.042 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -101.12 168.08 9.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -102.32 152.97 20.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.63 -170.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.35 172.24 27.8 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.21 143.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.3 t -83.99 108.42 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.458 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mmm -92.23 -35.5 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.361 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 58' ' ' LEU . 10.1 tp10 -122.76 137.35 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 134.72 56.83 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.553 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 74' ' ' LEU . 65.2 mt -100.56 121.95 51.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.096 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 p -122.82 158.15 57.91 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.937 0.399 . . . . 0.0 111.06 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.69 -35.2 86.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.243 2.629 . . . . 0.0 112.814 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -85.14 -39.92 17.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.265 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -132.85 127.44 34.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 0.0 111.081 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 m -68.93 156.82 37.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.18 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.96 -165.11 21.42 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.068 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 96.1 mt -127.42 128.39 45.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.729 0.3 . . . . 0.0 110.371 -177.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 47' ' ' VAL . 35.1 m -126.46 146.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.267 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.16 124.08 46.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -131.08 117.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.419 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 74.98 -35.35 0.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.925 0.766 . . . . 0.0 112.096 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.88 -27.89 0.11 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.121 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.93 155.38 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.432 . . . . 0.0 111.016 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -104.0 119.77 39.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.858 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -116.6 162.72 17.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 -175.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.76 133.85 35.72 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.29 141.22 51.77 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.36 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 161.34 35.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.781 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.0 p -166.42 -174.53 2.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.942 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.03 2.22 61.45 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.448 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 167.64 10.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.722 0.296 . . . . 0.0 110.617 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.06 102.64 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 51' ' ' ILE . 85.6 mt -99.88 130.77 46.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.37 172.44 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.528 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.4 t -77.19 121.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.222 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.6 -20.86 8.18 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.7 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.11 165.62 23.77 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.239 0.542 . . . . 0.0 111.558 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -115.16 132.68 56.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.353 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 74' ' ' LEU . 29.1 m -126.27 158.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -120.93 138.3 54.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.858 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 37.4 t -71.59 121.93 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.942 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -95.69 -44.38 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.095 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.09 -178.3 7.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.583 HG13 HD11 ' A' ' 41' ' ' ILE . 44.1 mt -128.47 132.89 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.823 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.35 94.76 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.9 -107.68 2.31 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.196 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.22 4.37 8.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 109.182 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.95 152.82 22.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.194 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -103.27 144.79 30.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.69 111.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.3 m -122.41 157.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.33 -174.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.15 153.26 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 80' ' ' VAL . 17.0 ttpp -77.51 132.35 38.34 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.66 144.52 55.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.24 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.82 172.43 7.67 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.523 -173.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 98' ' ' GLN . 5.0 mp0 -94.25 19.28 9.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.225 -173.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 97' ' ' GLU . 98.0 mt-30 75.63 69.78 0.08 Allowed 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.387 0.675 . . . . 0.0 109.896 -173.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 61.1 -79.73 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.146 -1.388 . . . . 0.0 112.034 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.68 42.89 0.7 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.715 -0.659 . . . . 0.0 110.326 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.8 71.4 2.88 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' A' ' 101' ' ' SER . 6.0 p -82.04 -170.41 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 0.0 111.607 -176.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.493 ' HB3' ' O ' ' A' ' 8' ' ' HIS . 19.8 m -66.03 80.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.571 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -129.63 0.71 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.488 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -133.93 -73.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 8' ' ' HIS . 25.1 p-80 -109.99 157.17 19.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.232 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 4' ' ' SER . 58.2 t-80 70.11 130.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.818 0.699 . . . . 0.0 110.381 -175.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -96.48 135.1 38.83 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.187 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -65.03 142.44 58.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -57.68 121.42 10.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.957 -175.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 m -107.85 149.87 27.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.301 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.47 56.03 4.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.423 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.716 ' HG3' ' HE1' ' A' ' 18' ' ' TYR . 25.7 mmt180 -131.04 149.98 52.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.831 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.36 -58.42 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.808 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -106.71 151.72 24.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.479 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.95 104.88 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.648 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.716 ' HE1' ' HG3' ' A' ' 14' ' ' ARG . 34.2 p90 -85.38 6.17 27.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.873 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -138.7 117.67 12.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.715 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -98.29 97.37 8.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.811 0.339 . . . . 0.0 110.622 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.27 69.77 0.91 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.919 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -114.03 109.57 18.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.696 -0.296 . . . . 0.0 110.315 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -42.62 77.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.146 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 52.24 33.89 13.48 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.699 0.4 . . . . 0.0 111.844 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.75 87.49 7.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -166.97 157.84 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.841 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 27' ' ' ILE . 2.7 pp -78.88 165.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -78.93 130.95 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.664 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -77.35 -154.08 6.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.563 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -110.56 86.36 5.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.308 . . . . 0.0 110.751 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HD3' ' O ' ' A' ' 29' ' ' GLY . 38.4 Cg_endo -92.77 66.89 0.63 Allowed 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.24 2.627 . . . . 0.0 112.613 -177.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.7 m -87.81 -22.29 24.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -115.35 83.09 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.406 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -98.64 114.14 26.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.338 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -154.52 136.92 14.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.242 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.449 ' HA ' ' HH2' ' A' ' 66' ' ' TRP . 7.3 p -138.64 136.87 43.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 m -98.48 -14.18 20.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.889 -175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 41' ' ' ILE . 1.5 m-20 63.28 -41.7 0.2 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -72.95 10.87 0.79 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.94 -0.475 . . . . 0.0 111.716 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' HG11 ' A' ' 61' ' ' VAL . 1.1 pt? -95.22 -11.95 27.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.796 0.331 . . . . 0.0 110.122 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 38' ' ' ASP . 37.2 mm -70.47 113.61 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 13.98 59.44 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.844 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -109.77 170.9 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 111.257 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.521 ' HZ3' ' HB3' ' A' ' 44' ' ' LYS . 10.5 mtpm? -87.91 147.84 24.89 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.499 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.46 135.8 6.82 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.112 174.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.2 143.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-O 120.914 0.388 . . . . 0.0 109.995 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -82.98 116.51 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 86.5 mtp -96.49 -32.29 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.268 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -129.69 141.0 50.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.682 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.35 124.15 17.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.821 0.701 . . . . 0.0 112.283 -173.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 73.1 mt -89.16 116.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.897 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.476 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 43.7 p -137.97 165.74 31.32 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.082 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 39.1 Cg_endo -81.09 4.35 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.66 2.24 . . . . 0.0 111.416 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -98.48 -41.02 7.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.585 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -149.47 127.95 12.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.691 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -59.68 147.85 36.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 110.415 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -96.24 175.72 32.28 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.883 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.6 mt -116.75 127.44 54.37 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.93 141.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.632 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 64.5 tttm -98.67 106.87 19.19 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 40' ' ' LEU . 27.8 t -116.0 124.38 72.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.768 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 66.13 -83.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.934 0.771 . . . . 0.0 110.214 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.65 2.49 1.07 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.235 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -112.04 152.6 28.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.993 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -99.9 114.2 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.449 ' HH2' ' HA ' ' A' ' 36' ' ' VAL . 66.4 m95 -108.01 163.97 12.68 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 4.2 mpt_? -91.21 143.48 26.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.41 152.26 46.93 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.245 0.545 . . . . 0.0 112.165 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -144.43 159.7 42.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.415 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 72' ' ' THR . 6.4 t -151.02 8.14 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.296 0.57 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.53 1.26 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.324 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.0 m -105.87 171.53 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG22 ' A' ' 72' ' ' THR . 7.9 p -85.87 134.19 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.498 . . . . 0.0 111.294 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -128.54 131.5 48.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.07 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.84 178.88 5.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.04 137.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.506 -175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.31 -6.13 63.3 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.161 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.78 164.58 26.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.33 0.586 . . . . 0.0 112.094 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.83 123.21 45.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.698 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.82 160.98 34.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.954 0.407 . . . . 0.0 111.347 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.6 m -112.57 132.05 55.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.269 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 HG12 ' A' ' 92' ' ' VAL . 46.3 t -89.18 108.46 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.151 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -96.48 -37.65 10.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.72 170.64 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 111.275 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -125.83 131.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.18 94.55 4.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.29 -112.53 3.78 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.02 1.3 10.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.662 0.744 . . . . 0.0 109.753 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -108.8 153.18 23.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.734 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -100.84 146.07 27.77 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.936 0.398 . . . . 0.0 110.397 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.55 100.49 10.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 82' ' ' VAL . 34.2 m -112.6 156.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.465 -172.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.21 158.1 40.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.02 143.06 47.67 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.506 HD21 ' HE2' ' A' ' 44' ' ' LYS . 4.6 mp -53.81 141.59 26.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.836 171.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 60.56 81.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.909 0.755 . . . . 0.0 109.884 -172.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 pm0 -70.43 94.44 0.96 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.827 0.822 . . . . 0.0 110.093 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 99' ' ' LYS . 37.0 tt0 -80.22 -47.15 15.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.632 -176.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HD2' ' HB3' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -80.0 116.7 20.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.478 -176.195 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.67 124.42 0.73 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.783 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.643 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 49.5 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.019 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.05 -157.91 29.8 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.287 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -148.99 111.31 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -93.02 87.35 5.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.17 0.509 . . . . 0.0 111.818 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -133.78 98.58 4.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.614 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -97.11 124.82 41.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.177 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -138.06 90.91 2.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 110.318 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -144.78 85.3 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.44 104.6 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -77.31 114.39 16.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 m -69.75 161.29 30.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.722 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -147.4 80.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.159 0.504 . . . . 0.0 109.741 177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.11 46.18 1.2 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.056 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -100.85 148.73 24.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.594 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.765 ' HG2' ' H ' ' A' ' 16' ' ' ASN . 31.4 tt0 -83.56 -177.39 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.321 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.765 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 7.1 t30 -153.79 114.68 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.311 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.32 144.91 46.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -130.12 145.14 51.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -172.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 t80 65.42 -107.99 0.15 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.629 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 52.74 28.31 6.18 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.75 0.42 . . . . 0.0 111.81 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.24 135.84 2.04 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.881 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -112.16 19.8 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.246 0.546 . . . . 0.0 110.303 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -125.07 93.99 4.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.345 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.24 145.38 14.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.7 172.03 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.589 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 61.04 31.08 19.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.515 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -92.88 -19.02 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.534 0.683 . . . . 0.0 109.968 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -152.66 122.62 7.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.232 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.96 112.34 0.83 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.28 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -105.04 90.36 3.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -19.84 87.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.912 1 C-N-CA 126.376 4.718 . . . . 0.0 116.245 -168.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -150.67 20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -101.58 156.66 17.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.651 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -139.23 14.46 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.69 0.757 . . . . 0.0 109.41 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.29 155.73 19.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 t -79.6 124.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 m -114.82 157.6 23.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.88 -0.73 14.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.447 0.642 . . . . 0.0 110.179 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -81.93 9.46 8.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.437 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -96.44 -23.2 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 85' ' ' ILE . 45.3 mm -74.51 129.92 36.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.044 -176.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.64 12.1 75.84 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.834 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 39' ' ' ARG . 84.8 mtp180 -117.23 159.45 22.64 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.723 -0.281 . . . . 0.0 110.365 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -92.58 152.84 19.39 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.556 0.693 . . . . 0.0 111.504 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.37 -179.9 19.63 Favored Glycine 0 N--CA 1.436 -1.365 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.558 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.88 143.68 34.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' HA ' HG12 ' A' ' 59' ' ' VAL . 26.4 t -84.24 114.4 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.962 0.41 . . . . 0.0 110.26 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.6 mmm -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.7 142.16 49.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.954 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.37 135.06 45.55 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.578 0.549 . . . . 0.0 111.558 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.523 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.4 mt -109.49 129.91 63.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.191 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -123.13 160.95 47.51 Favored Pre-proline 0 N--CA 1.447 -0.598 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' SER . 27.6 Cg_exo -60.87 -19.4 61.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.052 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -99.45 -54.0 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -109.93 135.56 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.61 154.69 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.225 0.536 . . . . 0.0 111.136 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.13 -168.46 17.08 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.271 -1.131 . . . . 0.0 110.271 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.2 134.99 49.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.305 0.553 . . . . 0.0 110.758 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 47' ' ' VAL . 20.1 m -130.15 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.185 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -104.55 110.3 22.53 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 49.0 t -130.6 130.69 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.836 -175.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.6 t70 72.03 -1.72 2.78 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.733 0.646 . . . . 0.0 110.9 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.44 -20.13 11.29 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.825 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -99.53 156.36 17.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.494 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 m -97.46 121.51 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -118.22 163.25 16.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.986 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -82.36 148.59 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.32 140.72 45.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.978 0.418 . . . . 0.0 111.514 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.6 p -126.17 135.38 51.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 27.2 m -138.93 160.57 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.396 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.94 -5.4 87.82 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.195 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.98 168.59 18.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.0 p -84.91 125.06 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.561 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.98 141.91 46.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.98 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.63 176.12 5.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.157 0.503 . . . . 0.0 110.981 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.92 138.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.883 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.18 -13.63 64.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.207 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.94 166.56 21.9 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.448 0.642 . . . . 0.0 112.035 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.65 127.45 55.28 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.045 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.93 163.1 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -123.82 139.33 54.08 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.033 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.0 t -86.24 117.44 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 -176.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.721 ' HE2' ' HB2' ' A' ' 16' ' ' ASN . 94.0 mttt -102.48 -28.49 12.16 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.8 165.04 33.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.759 0.314 . . . . 0.0 111.484 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -117.01 137.16 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.15 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 89' ' ' LYS . 8.8 tp10 -128.09 45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.813 0.816 . . . . 0.0 109.21 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 87.25 -120.93 5.65 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.791 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.4 m -79.93 -6.67 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.345 0.593 . . . . 0.0 110.097 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HE3' ' HG3' ' A' ' 86' ' ' GLU . 36.7 mtmt -107.03 143.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.313 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.44 147.76 34.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.094 0.473 . . . . 0.0 110.257 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 51.7 t -94.31 101.49 12.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.8 m -125.42 159.08 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.176 -173.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -145.49 165.05 29.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.842 172.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.23 135.9 46.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.241 0.543 . . . . 0.0 110.797 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.06 161.51 14.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.059 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.81 154.44 40.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 111.328 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' HD2' ' A' ' 99' ' ' LYS . 39.6 tt0 -76.12 122.86 24.91 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.74 112.66 17.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.049 0.452 . . . . 0.0 111.311 -172.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' HD2' ' O ' ' A' ' 97' ' ' GLU . 12.2 mptt -86.96 141.04 28.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.332 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.47 178.91 20.65 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.182 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.016 178.599 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.92 75.86 0.6 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.318 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 p -115.19 91.19 3.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 p -134.12 81.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.237 0.541 . . . . 0.0 110.644 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.29 98.76 4.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.293 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -135.41 134.53 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.972 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.65 165.43 11.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.468 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -102.37 107.67 18.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -87.41 75.72 9.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.75 0.786 . . . . 0.0 109.41 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -79.85 90.64 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.739 0.78 . . . . 0.0 110.897 -175.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -146.11 114.08 6.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.717 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 t -114.83 91.65 3.69 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.09 140.95 15.32 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.944 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -154.46 126.71 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.03 112.31 25.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -81.95 78.77 8.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.447 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.8 153.23 45.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.432 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.1 112.43 24.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.041 0.448 . . . . 0.0 110.149 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.48 141.64 32.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.354 -174.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -123.33 -165.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.97 130.47 7.06 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.144 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -143.94 109.1 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.7 mtt -111.85 126.09 54.72 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.03 94.19 4.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.067 0.46 . . . . 0.0 110.855 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.45 107.0 17.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.835 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -78.24 81.48 4.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.923 0.868 . . . . 0.0 110.922 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.86 114.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.822 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -89.49 87.78 7.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.448 0.642 . . . . 0.0 110.663 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.0 72.29 0.29 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.684 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -122.36 149.84 55.92 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.262 -0.274 . . . . 0.0 110.262 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.02 -175.57 1.99 Allowed 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.885 2.39 . . . . 0.0 112.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 m -68.46 115.11 7.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -81.74 173.08 12.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.218 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -90.17 11.01 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.391 0.615 . . . . 0.0 111.028 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.65 125.37 29.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.908 176.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.9 119.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.779 0.8 . . . . 0.0 111.523 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -77.13 134.06 38.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.131 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -74.71 11.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.897 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -70.85 -13.71 62.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.194 0.521 . . . . 0.0 110.008 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.59 -21.52 32.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 HG12 ' A' ' 85' ' ' ILE . 49.9 mm -69.82 119.21 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.529 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.82 55.46 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.605 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.19 175.71 5.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.936 0.398 . . . . 0.0 110.514 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 79' ' ' GLU . 37.2 ttpt -99.07 146.71 25.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.614 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.05 172.7 21.32 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 11.1 p -122.52 143.77 34.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.692 0.282 . . . . 0.0 110.263 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' HA ' HG12 ' A' ' 59' ' ' VAL . 43.2 t -84.33 119.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.7 -33.76 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.018 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 29.1 tt0 -131.11 137.23 48.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.57 136.84 31.71 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.753 0.658 . . . . 0.0 112.063 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' HA3' ' A' ' 57' ' ' GLY . 61.9 mt -115.0 132.92 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.232 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 p -132.28 160.94 65.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.419 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.97 -24.49 57.53 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.004 2.47 . . . . 0.0 112.35 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.83 -57.65 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -105.15 118.04 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.733 0.302 . . . . 0.0 110.354 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -67.45 160.93 26.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.135 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -129.47 -167.24 12.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.429 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 67.8 mt -118.79 138.47 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 110.987 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 47' ' ' VAL . 17.8 m -129.74 151.53 35.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 4.3 tppt? -98.42 116.82 31.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.4 t -132.72 119.32 37.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.028 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 69.6 8.95 7.01 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.952 0.782 . . . . 0.0 111.026 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.95 -20.79 21.51 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.137 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.37 155.74 17.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 0.0 110.518 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -101.2 118.64 37.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -118.34 165.32 14.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.1 mpt_? -86.46 146.04 26.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.93 140.12 45.49 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 p -118.86 131.94 56.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.333 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 t -147.48 147.42 30.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.99 37.06 3.29 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.91 162.87 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 p -91.15 108.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.473 0.654 . . . . 0.0 110.037 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 80' ' ' VAL . 64.3 mt -107.19 122.27 46.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.407 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -82.85 165.7 19.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.287 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.67 133.75 31.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.185 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.44 -11.47 70.18 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.631 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.75 170.68 11.92 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.278 0.561 . . . . 0.0 111.599 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 44' ' ' LYS . 36.0 mt-10 -116.14 128.66 55.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.778 -178.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 74' ' ' LEU . 20.7 m -121.38 149.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.013 0.435 . . . . 0.0 111.737 -176.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 m -95.9 123.06 39.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.007 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.9 t -83.75 113.65 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -102.01 -37.51 8.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.47 163.56 39.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 111.485 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.566 HG12 HD11 ' A' ' 41' ' ' ILE . 27.0 mm -106.92 134.32 48.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.236 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -127.69 93.29 3.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.006 0.431 . . . . 0.0 110.319 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.63 -115.67 8.26 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.297 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.94 11.2 6.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 29.2 mtmt -121.4 156.84 31.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.278 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 mt -104.64 143.0 33.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.841 0.353 . . . . 0.0 110.074 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.55 105.0 16.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -125.35 154.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -174.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.9 165.96 24.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 95' ' ' LEU . 40.5 tttt -69.64 147.02 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.652 0.263 . . . . 0.0 110.694 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.3 mm? -67.92 -178.96 1.07 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.386 170.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 65.47 63.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.671 0.748 . . . . 0.0 109.432 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -79.28 94.37 5.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.61 0.719 . . . . 0.0 109.788 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.11 129.89 39.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.317 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 56.82 63.19 2.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.243 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.07 79.19 1.48 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.256 -174.09 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.33 119.73 0.96 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.365 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -88.16 158.13 18.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 m -72.03 119.11 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 0.0 111.413 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -105.21 -67.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.554 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -93.33 132.58 37.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -137.05 114.8 11.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.045 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -74.77 135.2 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -119.11 115.11 23.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 0.0 110.178 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -80.05 132.33 35.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.654 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 p -119.34 144.1 47.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.73 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -103.34 112.05 24.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.77 -177.45 23.83 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.609 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 68.67 87.18 0.12 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.376 0.67 . . . . 0.0 110.273 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -111.28 161.38 16.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.086 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -153.44 101.46 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.03 6.87 17.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.698 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -107.67 119.54 39.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.972 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -162.57 97.6 0.98 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.238 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -142.57 138.97 31.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.128 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.39 126.54 1.11 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.146 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -160.71 133.2 6.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.7 ttm -167.85 97.97 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.934 0.397 . . . . 0.0 110.143 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.1 107.24 12.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.214 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.54 121.95 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.332 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -111.04 126.48 54.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.162 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.8 mt -91.55 105.44 16.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.051 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -88.91 137.53 32.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.146 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 35.67 0.18 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.358 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.51 153.78 41.13 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.55 168.91 16.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 111.688 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -88.2 -63.06 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.73 0.3 . . . . 0.0 111.136 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -107.9 -7.73 16.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.742 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -90.75 -0.28 57.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 0.0 110.503 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.65 148.96 26.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.687 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.21 -16.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.536 0.684 . . . . 0.0 109.834 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.6 t 63.84 177.86 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.731 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -126.08 -1.47 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.012 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 39' ' ' ARG . 7.8 mmt85 -81.68 20.7 0.9 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.673 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 61' ' ' VAL . 59.3 mt -101.26 -20.12 15.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.479 175.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 85' ' ' ILE . 50.1 mm -73.25 135.62 27.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.563 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.24 26.42 61.78 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.584 -0.734 . . . . 0.0 113.487 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -125.79 160.3 30.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.952 0.376 . . . . 0.0 110.483 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -95.64 144.97 25.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.01 -179.95 18.35 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 60' ' ' LYS . 10.3 p -120.99 144.29 30.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.43 116.8 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.9 mmm -98.43 -24.0 15.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.254 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.61 149.66 41.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.91 123.23 13.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.85 0.719 . . . . 0.0 111.485 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.554 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.7 mt -105.48 119.29 54.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.992 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.47 166.37 14.79 Favored Pre-proline 0 N--CA 1.444 -0.759 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 22.6 Cg_exo -63.2 -35.09 65.8 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 111.856 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' OE1' ' HD2' ' A' ' 53' ' ' PRO . 20.3 mp0 -83.03 -45.48 14.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.429 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -120.62 124.47 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -68.07 158.22 33.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.117 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.1 -163.38 12.36 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.714 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.1 mt -120.28 137.1 54.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.651 0.263 . . . . 0.0 111.093 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG13 HD11 ' A' ' 51' ' ' ILE . 18.2 m -130.02 152.78 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.192 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HB3' HG12 ' A' ' 46' ' ' VAL . 38.7 ttmt -94.71 123.1 37.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.23 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 40' ' ' LEU . 47.5 t -124.98 110.34 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.82 -80.27 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.074 0.859 . . . . 0.0 111.349 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.96 5.54 1.97 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.25 160.55 22.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -101.87 113.08 25.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.431 ' CD1' ' HB ' ' A' ' 61' ' ' VAL . 67.2 m95 -104.69 163.34 12.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.235 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 7.3 mpt_? -91.08 144.36 25.73 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 92' ' ' VAL . . . -143.99 140.22 29.5 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.109 0.48 . . . . 0.0 111.462 -174.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 159.72 22.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.294 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -159.79 172.8 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.05 -3.85 55.62 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.31 166.62 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.35 115.64 29.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.05 0.453 . . . . 0.0 110.397 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 80' ' ' VAL . 47.8 mt -105.48 126.27 51.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.397 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.44 165.46 12.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.483 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.6 t -73.54 116.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.401 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.69 -18.43 7.17 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.887 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -74.88 169.01 18.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.278 0.561 . . . . 0.0 111.575 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -121.47 135.18 55.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.556 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 74' ' ' LEU . 30.6 m -129.19 156.35 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 -177.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 m -113.05 137.59 51.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.186 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.43 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -80.16 114.74 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.238 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -76.68 -53.6 7.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.516 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -158.75 179.92 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.692 -175.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 87' ' ' GLY . 54.7 mt -117.6 132.45 67.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -107.66 12.8 27.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.0 111.104 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 136.41 -113.94 1.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.06 -6.99 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.521 0.677 . . . . 0.0 109.858 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -116.68 160.09 21.25 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 mt -107.83 147.95 30.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.028 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.9 100.57 10.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.497 HG22 ' HB1' ' A' ' 68' ' ' ALA . 29.1 m -117.82 156.29 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.863 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -138.98 157.04 46.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG12 ' A' ' 80' ' ' VAL . 24.4 ttpp -69.74 143.08 53.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.292 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.88 147.25 5.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.462 0.476 . . . . 0.0 110.299 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.98 158.89 27.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.276 -172.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 128.58 36.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.6 -9.02 55.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -170.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -162.5 38.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.581 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 57.65 -107.72 1.12 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.46 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.708 176.723 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.58 70.4 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.069 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -89.49 94.67 9.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.7 p -81.32 79.47 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.037 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -108.15 129.54 55.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.322 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -155.76 123.82 5.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.902 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -112.62 146.35 38.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.145 0.497 . . . . 0.0 111.252 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -140.26 113.54 8.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -68.7 111.04 4.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.463 . . . . 0.0 110.892 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -67.39 133.78 50.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.543 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 p -55.23 127.66 30.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.798 0.333 . . . . 0.0 110.356 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -140.42 150.19 43.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.39 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.46 -147.76 19.06 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -152.31 93.51 1.81 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.775 0.322 . . . . 0.0 110.133 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -141.28 106.68 5.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 66.12 -168.14 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -81.05 154.72 26.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -74.22 94.96 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 0.0 111.27 -177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.71 94.46 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.519 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -89.03 -176.86 5.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.02 -165.59 38.17 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.258 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -91.43 139.79 30.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.769 0.319 . . . . 0.0 110.535 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.02 0.29 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.26 122.53 23.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.97 6.42 35.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.389 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.492 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -145.8 168.46 20.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.788 HG22 ' H ' ' A' ' 28' ' ' THR . 19.5 mm 63.36 -176.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -176.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.788 ' H ' HG22 ' A' ' 27' ' ' ILE . 11.2 m 74.98 -52.98 0.67 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.85 0.46 . . . . 0.0 111.537 177.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.56 89.19 0.18 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.147 -0.549 . . . . 0.0 111.826 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.14 153.09 55.33 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.474 0.178 . . . . 0.0 110.654 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.61 -4.63 15.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.99 2.46 . . . . 0.0 113.112 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -67.04 161.24 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.191 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -82.96 131.68 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.786 0.327 . . . . 0.0 110.813 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -119.07 -177.54 3.36 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 70.96 -173.38 0.17 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 124.091 0.869 . . . . 0.0 112.506 173.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.5 141.69 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.499 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -114.29 -177.81 3.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -92.11 6.68 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -170.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.651 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -78.25 -9.12 59.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.417 178.602 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.46 -16.55 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.519 . . . . 0.0 109.718 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.461 HD13 HG12 ' A' ' 82' ' ' VAL . 47.7 mm -76.17 124.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.25 57.6 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.632 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 43' ' ' ARG . 34.2 mtt180 -114.57 170.75 8.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 79' ' ' GLU . 27.3 ttmt -89.26 144.84 25.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.166 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.45 144.47 16.29 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.72 143.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 117.49 0.645 . . . . 0.0 110.577 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 59' ' ' VAL . 49.8 t -85.72 111.71 21.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.95 -176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 80.5 mtp -90.97 -37.59 13.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.286 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -123.63 140.85 52.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.689 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.29 116.97 3.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.691 0.619 . . . . 0.0 112.189 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 HD12 HD12 ' A' ' 74' ' ' LEU . 66.8 mt -85.67 139.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.569 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 p -150.98 162.58 26.44 Favored Pre-proline 0 C--N 1.322 -0.626 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.323 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.71 -16.19 49.63 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.62 2.213 . . . . 0.0 111.218 171.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -70.15 -48.62 56.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.992 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -163.77 166.65 21.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.745 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.93 154.56 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.842 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.533 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -112.76 -174.62 19.3 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 93.5 mt -120.22 124.41 45.6 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.844 0.322 . . . . 0.0 110.605 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 47' ' ' VAL . 25.9 m -121.26 143.74 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 38.8 ttpt -94.39 114.31 26.33 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.5 81.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t70 72.95 -32.56 0.25 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.455 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.48 -54.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.1 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.35 164.82 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.564 -0.374 . . . . 0.0 111.055 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -98.05 138.33 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.292 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -132.75 165.18 25.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.495 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 6.5 mpt_? -79.7 145.73 32.8 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.45 140.73 39.38 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.129 0.49 . . . . 0.0 111.549 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.5 p -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.393 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 p -151.83 169.4 22.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.073 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.91 27.44 16.36 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.159 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.3 m -147.2 171.57 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 p -94.57 131.92 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 51' ' ' ILE . 69.5 mt -121.86 144.0 49.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.954 -175.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -101.22 161.59 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.056 0.455 . . . . 0.0 111.279 -176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.84 128.85 34.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.752 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.06 -5.41 53.04 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.226 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.19 171.65 14.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.095 0.474 . . . . 0.0 111.147 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.525 ' HB3' ' HD3' ' A' ' 44' ' ' LYS . 33.7 mt-10 -124.34 132.54 53.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.614 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.0 m -123.65 153.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 111.583 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -100.45 126.79 46.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.621 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 92' ' ' VAL . 25.7 t -79.16 112.87 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.866 0.365 . . . . 0.0 110.192 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -95.95 -43.66 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.148 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.72 -179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.758 0.314 . . . . 0.0 111.517 -175.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.17 134.96 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 83.87 2.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.41 -110.72 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.758 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.21 0.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.882 0.848 . . . . 0.0 109.794 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . 40.5 mtmt -101.18 161.45 13.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.742 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.7 147.13 37.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.954 0.407 . . . . 0.0 109.961 174.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 60.8 t -97.53 112.67 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -123.6 163.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.121 0.486 . . . . 0.0 111.792 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -131.68 159.19 39.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.51 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 62.6 tttm -86.76 137.12 32.69 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.857 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 10.3 mp -72.9 140.05 47.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 168.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -148.81 104.22 3.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.979 0.419 . . . . 0.0 111.275 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.86 -18.04 28.43 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 109.399 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -95.8 87.63 4.71 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.001 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -106.48 21.66 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.64 -171.67 21.26 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.473 178.657 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.19 110.27 3.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.472 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -79.33 140.79 37.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.433 . . . . 0.0 110.863 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -146.27 95.2 2.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.451 0.643 . . . . 0.0 109.628 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -127.82 101.1 6.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 -174.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.68 143.07 46.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 142.07 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.812 0.339 . . . . 0.0 111.367 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -153.38 123.9 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 175.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.97 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -96.79 87.68 4.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.742 -172.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.8 m -159.01 122.59 3.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.559 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -127.67 150.92 49.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.557 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.65 156.42 11.96 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.672 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -105.66 -86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.021 0.41 . . . . 0.0 110.517 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 55.04 84.76 0.07 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.249 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -114.44 -172.62 2.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.343 175.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.95 113.88 20.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -73.21 106.77 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -88.08 139.4 30.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.154 -168.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HG2' ' H ' ' A' ' 22' ' ' HIS . 31.1 tt0 -158.03 139.65 13.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.15 171.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -25.34 75.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.868 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.482 ' H ' ' HG2' ' A' ' 20' ' ' GLN . 51.8 t-80 71.69 122.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.222 0.609 . . . . 0.0 110.62 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.0 ttm -60.36 132.54 54.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.4 156.89 30.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.789 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.86 152.8 18.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.116 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 5.4 mmp_? -113.89 162.38 16.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 pt -84.34 117.17 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.083 0.468 . . . . 0.0 110.449 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -91.01 -174.63 4.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -66.24 107.2 1.86 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.392 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.28 87.24 15.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.855 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.527 ' HD2' ' HE2' ' A' ' 33' ' ' LYS . 22.8 Cg_exo -65.64 179.55 1.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.585 2.19 . . . . 0.0 111.584 176.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m -61.31 -42.8 99.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HE2' ' HD2' ' A' ' 31' ' ' PRO . 74.3 mmtt 58.77 -164.58 0.2 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.157 0.503 . . . . 0.0 111.21 176.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.792 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -115.02 85.57 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.601 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.29 122.95 27.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.205 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.31 130.57 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.59 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m -108.58 134.34 51.48 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -176.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.64 -14.96 61.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.418 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -76.09 -4.01 39.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 85' ' ' ILE . 96.7 mt -78.83 -13.51 59.76 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.67 99.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.26 0.553 . . . . 0.0 110.148 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.25 2.85 26.25 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.195 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 43' ' ' ARG . 22.0 mmt180 -80.51 166.84 20.8 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 111.05 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 32.9 mtpt -85.89 167.06 15.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.027 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.64 138.73 5.66 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 173.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 13.4 p -102.89 143.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.02 107.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.939 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.1 mmm -87.8 -35.06 18.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.717 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.7 139.69 52.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.31 126.34 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.899 0.749 . . . . 0.0 112.036 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 74' ' ' LEU . 74.8 mt -87.17 123.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.678 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -133.37 161.15 65.53 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.854 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.14 -29.05 81.92 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.949 2.433 . . . . 0.0 112.091 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.41 -59.38 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.02 120.23 41.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.753 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 143.61 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.562 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -92.01 174.75 37.62 Favored Glycine 0 C--N 1.315 -0.638 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.277 -172.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -109.7 121.0 44.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 14.8 m -108.67 134.02 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.92 107.77 20.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.4 108.95 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 62.76 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.9 -174.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.33 5.41 3.24 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.908 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -119.79 141.26 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -99.88 133.11 44.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.594 0.711 . . . . 0.0 111.085 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.09 165.1 14.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.268 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.577 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 3.2 mpt_? -93.23 143.98 25.73 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -130.95 140.1 50.12 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.124 0.488 . . . . 0.0 112.132 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -117.61 130.02 56.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.794 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -142.94 162.41 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.57 -20.93 49.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.111 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.73 150.43 22.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.484 0.183 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 52.7 t -81.61 104.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.208 0.528 . . . . 0.0 109.691 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 51' ' ' ILE . 92.5 mt -95.19 132.12 40.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.009 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.41 162.45 21.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.339 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.25 122.5 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.86 -11.87 27.31 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.908 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.63 167.38 20.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.107 0.48 . . . . 0.0 111.362 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -123.88 141.17 52.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.213 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.15 176.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.158 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -130.89 140.75 50.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.123 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -81.42 121.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -176.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.64 -48.85 6.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.677 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.97 166.1 25.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' LEU . 45.0 mt -129.64 127.05 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -129.68 95.33 3.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.382 0.61 . . . . 0.0 111.034 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.18 -108.98 2.67 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.896 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.476 ' HB ' HH11 ' A' ' 67' ' ' ARG . 28.3 m -104.99 2.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -115.31 143.21 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.433 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.91 140.92 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.708 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.9 107.1 18.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -127.62 165.69 26.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.92 164.64 36.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.774 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.54 130.5 43.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.554 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.94 149.87 49.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.616 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.53 118.3 10.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.453 0.644 . . . . 0.0 111.213 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.53 126.8 41.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.407 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -84.94 55.01 3.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.642 0.734 . . . . 0.0 109.275 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -44.64 6.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.759 -1.109 . . . . 0.0 108.954 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.29 -86.49 0.29 Allowed Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.424 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.263 178.073 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttp . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.063 0.459 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -125.53 -22.27 1.87 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -80.76 148.45 30.07 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t -132.87 98.37 4.29 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -78.32 77.35 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.011 0.91 . . . . 0.0 109.749 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -140.55 51.83 1.65 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.126 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -85.51 115.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.248 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -117.34 -8.97 11.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.768 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -89.61 111.12 21.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.552 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -79.9 -75.51 0.25 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 p -100.66 89.41 3.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.535 0.683 . . . . 0.0 110.276 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 m -139.15 86.54 2.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.264 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.93 81.23 0.34 Allowed Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.435 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -82.83 82.24 8.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 0.0 110.362 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.59 123.73 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.957 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.63 104.67 5.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.967 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 3.5 pp -85.5 162.83 18.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.975 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -85.92 147.98 25.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.097 0.475 . . . . 0.0 111.282 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -109.42 126.62 53.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.535 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -122.16 107.61 12.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.858 0.361 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.86 13.03 68.6 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -96.1 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.27 155.71 16.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.55 105.68 5.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.37 91.03 5.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.301 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -144.32 118.9 9.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.59 99.03 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.59 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 m -108.0 -51.43 2.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.089 0.471 . . . . 0.0 110.381 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.13 38.7 0.46 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -125.79 86.13 58.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.239 . . . . 0.0 110.509 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.48 152.64 49.18 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.008 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 m -63.99 136.86 57.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.576 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -74.24 92.95 2.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.828 0.823 . . . . 0.0 111.043 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG2' ' H ' ' A' ' 35' ' ' ALA . 40.2 ttmt -153.4 173.04 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.711 -1.131 . . . . 0.0 107.97 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' H ' ' HG2' ' A' ' 34' ' ' LYS . . . 71.05 104.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.628 0.58 . . . . 0.0 111.612 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.26 122.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.907 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.4 m -111.85 178.18 4.4 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.866 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.57 15.43 0.62 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' HE ' ' HA ' ' A' ' 39' ' ' ARG . 8.5 mmp_? -69.06 -14.53 63.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.079 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.62 -7.16 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 85' ' ' ILE . 49.4 mm -83.39 125.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.41 . . . . 0.0 111.176 -174.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 12.04 74.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.811 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -101.84 164.45 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 111.207 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 5.8 tmmm? -87.17 144.83 26.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.225 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -139.51 169.89 24.39 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -124.48 143.81 36.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.55 118.19 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.935 0.398 . . . . 0.0 111.032 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mmt -102.97 -23.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.1 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -136.84 145.06 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.87 125.76 21.51 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.672 0.607 . . . . 0.0 112.049 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HA3' ' A' ' 57' ' ' GLY . 71.0 mt -105.46 129.9 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.217 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.4 p -134.89 163.02 54.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.843 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.21 -22.21 72.51 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.622 2.215 . . . . 0.0 111.327 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -83.08 -59.48 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.743 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -123.6 132.26 53.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.021 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -62.34 155.94 23.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.053 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ARG . . . -112.56 -157.33 13.19 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 80.1 mt -125.41 128.82 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.407 . . . . 0.0 110.828 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.42 144.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -93.19 107.01 18.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.0 t -98.38 103.89 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.15 -73.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.192 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -0.55 0.66 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.472 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -120.22 153.88 35.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.369 0.584 . . . . 0.0 110.728 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -102.24 125.84 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -127.1 156.84 41.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.763 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 4.4 mpt_? -72.47 143.18 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.63 142.64 30.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.157 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -120.33 164.0 16.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -162.23 178.9 8.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.09 -8.02 67.27 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.236 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -119.5 164.73 15.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.72 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 21.6 t -92.75 95.39 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.182 0.515 . . . . 0.0 109.629 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 73.2 mt -86.45 129.81 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.12 164.75 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.12 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.41 130.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.645 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 -10.53 39.59 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.893 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.03 164.28 25.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.513 0.673 . . . . 0.0 112.1 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -107.16 135.2 49.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.732 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.83 163.35 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.022 0.439 . . . . 0.0 111.307 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -124.31 133.26 53.51 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.7 t -80.24 115.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.279 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.44 -53.91 7.08 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -161.73 174.92 12.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.504 HG13 HD11 ' A' ' 41' ' ' ILE . 61.0 mt -105.09 138.12 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.232 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -121.85 79.34 1.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.942 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.95 -104.33 1.08 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.424 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 -4.41 9.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.575 0.702 . . . . 0.0 110.163 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -108.92 166.4 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -119.82 151.37 38.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -106.84 112.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -119.65 163.2 17.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.507 . . . . 0.0 111.834 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -110.68 176.65 4.95 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -93.85 122.63 36.53 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.5 tp -86.22 134.0 33.8 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.868 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -144.04 20.58 1.77 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.134 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.95 13.61 8.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.624 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.95 125.81 25.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.278 0.561 . . . . 0.0 111.48 -176.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -120.01 29.23 7.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.295 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.66 -75.69 0.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--O 1.249 1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 172.139 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.56 172.12 48.66 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.106 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -166.19 163.84 17.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -141.17 103.32 4.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.071 0.462 . . . . 0.0 109.937 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -92.31 81.97 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.72 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -103.96 127.33 51.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.159 -174.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -133.4 -154.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 72.09 79.25 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.292 0.567 . . . . 0.0 110.751 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.269 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -128.99 89.15 2.82 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.406 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 t 58.86 62.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.115 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -82.24 105.34 13.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.863 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.4 111.89 1.87 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.739 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.546 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.3 mmp_? -111.7 158.98 18.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 58.97 -165.9 0.18 Allowed 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.859 0.724 . . . . 0.0 110.79 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -123.57 96.78 5.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 110.343 176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -91.63 -179.32 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.424 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -81.89 78.4 8.6 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.567 0.698 . . . . 0.0 110.07 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -109.57 10.62 25.04 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -91.28 169.91 10.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.344 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.09 172.89 39.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.358 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -85.72 131.97 34.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.717 0.294 . . . . 0.0 110.483 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtt -99.41 142.28 31.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.248 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 70.18 135.89 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 O-C-N 124.234 0.958 . . . . 0.0 111.935 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.58 14.91 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -141.24 145.2 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.03 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.3 pt -80.28 63.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.126 0.489 . . . . 0.0 111.229 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 28' ' ' THR . 11.5 m 65.77 12.32 8.23 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.669 0.747 . . . . 0.0 111.016 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.66 -174.42 42.07 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.246 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.17 157.1 34.66 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.621 0.248 . . . . 0.0 110.439 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.77 -4.75 11.72 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.099 2.533 . . . . 0.0 112.751 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.6 m 71.62 166.7 0.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.42 0.688 . . . . 0.0 111.27 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 13.3 mptt -80.18 122.81 27.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 0.0 111.187 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.71 88.27 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.96 33.06 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.311 -174.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.82 131.89 35.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 m -100.92 -12.78 18.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.003 -174.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.86 15.85 4.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -91.71 -5.26 53.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.995 0.426 . . . . 0.0 110.668 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 61' ' ' VAL . 40.4 mt -84.19 -20.61 32.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 82' ' ' VAL . 48.8 mm -61.26 122.7 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.326 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.7 -15.51 58.39 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.898 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -102.54 176.31 5.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 111.357 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 37.4 ttmt -88.65 148.03 24.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.472 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 44' ' ' LYS . . . -131.99 155.9 21.69 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 171.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.46 142.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 117.322 0.561 . . . . 0.0 110.683 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.69 110.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 83.3 mtp -94.11 -30.58 14.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.8 tp10 -125.9 137.72 53.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.642 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.04 117.45 4.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.965 0.79 . . . . 0.0 112.212 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 74' ' ' LEU . 70.7 mt -81.2 104.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.408 176.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -108.4 155.19 40.8 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-O 120.841 0.353 . . . . 0.0 110.803 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 73' ' ' VAL . 35.5 Cg_exo -60.53 -22.32 71.68 Favored 'Trans proline' 0 CA--C 1.526 0.083 0 C-N-CA 122.964 2.443 . . . . 0.0 112.145 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -94.33 -27.86 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.547 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -146.98 131.45 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -63.03 153.76 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.089 0.471 . . . . 0.0 111.273 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.58 -179.94 22.15 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.304 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.7 mt -117.43 126.27 52.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.712 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.32 142.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 54.7 tttp -101.99 114.55 28.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.275 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 40' ' ' LEU . 2.4 t -132.57 143.02 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.49 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.731 0.644 . . . . 0.0 110.489 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.25 7.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 68.1 mm-40 -113.56 164.96 12.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.664 0.269 . . . . 0.0 110.796 -176.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -109.95 109.72 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.421 0.629 . . . . 0.0 109.379 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.473 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 79.8 m95 -104.22 155.93 18.32 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.383 -173.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.89 135.92 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.3 142.1 51.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.085 0.469 . . . . 0.0 111.573 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.4 p -131.14 148.12 52.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.873 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -152.37 175.89 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.64 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.69 24.14 30.87 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.959 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.9 m -151.22 172.17 16.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.488 ' H ' HG22 ' A' ' 72' ' ' THR . 7.7 p -96.21 126.25 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.326 0.584 . . . . 0.0 110.742 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 51' ' ' ILE . 49.8 mt -117.1 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.77 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.18 -179.28 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.145 0.498 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -83.1 138.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.075 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.96 3.14 70.68 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.91 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.07 173.63 12.39 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.23 0.538 . . . . 0.0 110.759 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.77 143.41 50.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.34 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 94' ' ' LYS . 34.8 m -130.96 167.29 26.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.177 0.513 . . . . 0.0 111.765 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 m -110.26 126.27 54.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.256 173.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.571 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -79.78 113.09 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 25.3 mmtp -95.53 -46.34 6.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.959 -176.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.83 173.89 14.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.77 -174.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -117.76 132.76 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.576 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.49 104.59 6.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.52 -121.32 9.75 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.54 10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.202 0.525 . . . . 0.0 110.215 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -113.84 151.6 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.389 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -89.52 143.1 27.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.166 0.508 . . . . 0.0 110.443 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -97.37 102.9 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 82' ' ' VAL . 26.8 m -122.25 165.4 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.05 146.78 37.61 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.379 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 80' ' ' VAL . 27.5 ttpt -67.99 141.72 56.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.57 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.67 163.57 7.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.646 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.38 117.63 4.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.382 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -68.22 102.42 1.36 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -58.65 114.21 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.161 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.91 106.29 14.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.685 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.59 -172.19 13.08 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.985 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.848 178.621 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.681 0.277 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.99 105.43 1.1 Allowed Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -74.16 -45.71 46.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -78.73 -24.51 44.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.137 0.494 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -155.59 96.89 1.81 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.298 0.57 . . . . 0.0 110.749 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -79.78 -29.52 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 178.91 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -118.88 63.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 172.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.3 m80 61.55 -84.78 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.216 -166.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.6 -99.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.8 t -176.91 153.92 1.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -80.28 102.63 9.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.49 11.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.044 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -77.23 82.32 3.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.948 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -138.48 19.13 2.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.74 0.781 . . . . 0.0 109.436 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.18 97.46 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.894 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.32 20.77 14.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.743 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -121.36 86.47 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 0.0 111.244 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -136.34 20.42 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.05 0.929 . . . . 0.0 108.494 170.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -76.98 109.02 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.116 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.16 111.46 3.49 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.652 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -143.14 96.21 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.07 0.462 . . . . 0.0 110.143 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.99 120.96 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.42 169.76 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.382 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.62 46.38 5.48 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.689 0.618 . . . . 0.0 111.011 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 24.0 tpt180 -145.94 124.88 12.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.996 178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.8 mt -96.04 114.74 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -98.28 134.61 41.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.988 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.67 -50.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.543 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -117.46 85.83 21.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.588 0.232 . . . . 0.0 110.504 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -95.27 162.18 1.59 Allowed 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.139 2.559 . . . . 0.0 112.867 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -76.72 -41.24 45.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.379 0.609 . . . . 0.0 109.966 175.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.59 151.0 25.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.935 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -57.15 140.15 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.097 0.475 . . . . 0.0 111.532 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.66 -173.41 2.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.716 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 HD21 ' A' ' 90' ' ' LEU . 8.3 p -96.62 -13.27 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.103 0.478 . . . . 0.0 110.507 179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m 65.73 128.36 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.84 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.08 -4.41 47.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.262 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -70.14 -18.85 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.072 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.64 -21.22 62.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 85' ' ' ILE . 50.3 mm -69.17 118.42 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.373 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.51 6.39 56.49 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.284 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 43' ' ' ARG . 9.6 mmp_? -105.67 158.61 16.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.055 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -87.71 155.98 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.908 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.19 162.16 29.14 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 9.9 p -112.53 143.65 21.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.6 t -87.51 116.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.064 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.4 mmt -100.61 -24.63 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.1 tp10 -130.67 133.81 46.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 130.7 43.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.937 0.773 . . . . 0.0 112.055 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 55.9 mt -104.67 111.72 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.354 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 p -109.98 162.63 19.63 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.062 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.01 -20.96 56.16 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.828 2.352 . . . . 0.0 112.119 175.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -94.35 -60.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -113.72 144.27 43.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.442 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 44.3 m -74.86 174.23 9.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.5 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -131.85 -157.57 8.74 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.9 mt -129.58 132.88 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.465 0.174 . . . . 0.0 110.549 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.91 147.59 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.044 0.45 . . . . 0.0 110.706 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' GLU . 86.7 tttt -112.5 119.59 38.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.865 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.25 87.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 44.95 72.9 0.18 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.789 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.84 -47.99 1.65 Allowed Glycine 0 C--N 1.318 -0.428 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.936 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 25.1 mm-40 -78.75 134.17 37.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.668 0.234 . . . . 0.0 110.693 -174.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -118.65 112.0 19.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.11 157.25 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.752 -175.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.544 ' HB3' ' HG2' ' A' ' 89' ' ' LYS . 5.6 mpt_? -73.85 135.3 43.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -137.31 140.27 41.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.334 0.588 . . . . 0.0 112.072 -175.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.8 m -115.4 164.29 14.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.783 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.3 t -160.55 162.37 32.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 4.71 58.16 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 166.56 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.2 t -90.11 114.71 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HG11 ' A' ' 80' ' ' VAL . 49.7 mt -120.11 122.81 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.007 0.432 . . . . 0.0 110.983 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.9 177.41 6.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.562 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.39 133.97 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.923 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.92 -4.51 61.14 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.127 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.22 171.66 14.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.197 0.522 . . . . 0.0 111.8 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -122.07 135.17 54.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.239 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD13 ' A' ' 74' ' ' LEU . 27.8 m -134.71 -176.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -138.46 141.76 39.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 92' ' ' VAL . 26.2 t -85.14 114.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.107 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -105.12 -28.87 10.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.37 175.68 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.45 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.708 HG13 HD11 ' A' ' 41' ' ' ILE . 46.8 mt -128.91 139.13 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.066 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.17 98.88 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.05 0.453 . . . . 0.0 110.297 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.9 -119.3 7.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.043 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.48 1.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.589 0.709 . . . . 0.0 109.971 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.544 ' HG2' ' HB3' ' A' ' 67' ' ' ARG . 33.4 mtmm -112.52 157.42 21.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.924 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.466 HD21 HG21 ' A' ' 36' ' ' VAL . 96.0 mt -101.04 150.8 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.741 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 58.6 t -101.14 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 82' ' ' VAL . 32.9 m -109.56 161.72 7.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -145.43 169.35 18.5 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.37 124.74 23.99 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.437 0.637 . . . . 0.0 110.196 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.2 145.27 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.704 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -78.49 95.76 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.73 0.776 . . . . 0.0 109.538 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -86.14 16.02 4.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.972 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.34 103.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.237 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.31 107.58 12.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.062 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 157.71 -148.7 18.56 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.066 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.468 178.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.96 0.409 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mm -82.05 121.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.419 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.12 36.93 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.72 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -113.99 174.06 6.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.961 0.41 . . . . 0.0 111.32 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.0 145.66 30.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.417 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 165.74 24.61 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.47 143.66 24.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 120.839 0.352 . . . . 0.0 110.238 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.09 120.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.3 mmt -103.05 -29.13 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -128.22 140.22 52.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.43 130.81 40.77 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.615 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.551 HG12 ' HA3' ' A' ' 57' ' ' GLY . 75.5 mt -105.02 130.76 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.555 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 53.6 p -127.9 165.05 32.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 43.2 Cg_endo -77.28 -14.2 16.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.252 1.968 . . . . 0.0 111.66 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.12 -33.76 14.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -143.41 124.82 14.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.979 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -65.02 152.57 43.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.368 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.551 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -106.65 -162.58 22.35 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.8 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 85.9 mt -122.57 123.03 40.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.96 148.16 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.18 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -101.59 101.83 12.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.02 0.438 . . . . 0.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.18 116.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.397 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 65.57 -84.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.942 0.776 . . . . 0.0 109.678 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.78 5.2 1.5 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.017 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 24.6 mm-40 -106.76 142.47 36.34 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 -176.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -92.56 115.13 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.489 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 95.2 m95 -114.97 151.41 34.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.71 131.74 40.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.0 140.08 47.58 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.73 159.74 23.12 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -157.62 168.05 28.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.47 -11.43 66.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.866 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.62 167.87 11.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.42 119.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 94' ' ' LYS . 46.2 mt -110.44 132.82 53.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.328 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -95.27 174.88 6.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.95 0.405 . . . . 0.0 110.127 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.46 141.21 15.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.85 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.55 66.12 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.166 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 69.6 mm-40 -76.67 167.21 22.24 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.386 0.613 . . . . 0.0 111.685 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.97 128.07 55.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.235 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 94' ' ' LYS . 31.6 m -124.47 157.08 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -107.17 127.44 53.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.841 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 31.6 t -82.27 110.0 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.1 -41.91 12.02 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.44 177.88 10.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.56 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 87' ' ' GLY . 21.6 mt -120.16 122.4 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.34 5.91 49.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 0.0 111.066 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 142.08 -107.41 0.49 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.542 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.01 1.03 10.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 109.644 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.73 158.63 27.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.821 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.24 147.97 28.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.171 0.51 . . . . 0.0 110.401 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.26 107.58 20.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.043 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.8 m -125.63 153.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.94 155.03 50.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HB2' HD22 ' A' ' 74' ' ' LEU . 15.8 ttpp -83.79 141.33 31.47 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 -170.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.456 172.142 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.757 0.313 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.17 120.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.949 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.72 68.28 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.207 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -111.68 158.7 18.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.969 0.385 . . . . 0.0 110.756 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -92.07 148.08 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.65 174.89 22.8 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.99 145.02 22.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.769 0.284 . . . . 0.0 110.525 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.22 121.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.595 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.2 mtp -101.18 -30.96 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 27.6 tt0 -131.33 140.99 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.327 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.25 123.61 13.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.458 0.647 . . . . 0.0 112.509 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 79.1 mt -92.83 124.9 45.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.78 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 19.2 p -105.99 165.82 12.37 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.278 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 38.2 Cg_endo -80.42 -6.2 13.62 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.161 1.907 . . . . 0.0 110.899 174.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -92.94 -55.68 3.26 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.861 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -119.4 -169.17 1.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -173.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -100.65 151.19 21.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.225 0.536 . . . . 0.0 111.072 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -111.16 179.03 19.82 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 173.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 86.9 mt -111.58 119.73 39.7 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.304 0.552 . . . . 0.0 111.103 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' THR . 29.0 m -114.52 160.38 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.118 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -123.94 121.28 34.89 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.0 t -123.44 119.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.705 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 67.67 -64.88 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.854 0.721 . . . . 0.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.43 -24.74 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.84 151.67 19.19 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.199 0.5 . . . . 0.0 110.304 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.2 t -100.63 127.79 46.9 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.795 0.807 . . . . 0.0 109.766 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -118.77 163.31 17.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.069 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -86.38 140.7 29.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.63 140.17 46.93 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.107 0.48 . . . . 0.0 111.943 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 p -124.5 144.44 50.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.076 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -151.22 -172.94 4.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.07 -1.57 33.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.018 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.39 166.23 19.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 61.9 t -87.67 99.1 8.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.076 0.465 . . . . 0.0 110.029 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -93.05 114.99 27.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.422 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -94.3 179.41 5.31 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -171.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.07 129.79 34.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.845 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.37 -8.56 38.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.39 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -84.92 175.89 8.81 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -126.75 143.96 51.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.4 m -124.08 158.99 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.459 -177.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.538 ' HB2' HD23 ' A' ' 95' ' ' LEU . 18.1 t -119.66 127.72 53.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.91 114.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.437 . . . . 0.0 111.185 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -81.21 -48.66 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.037 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.99 177.2 9.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.572 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -108.31 134.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.797 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.92 82.56 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.62 -113.44 4.23 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.042 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.44 -1.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.93 0.872 . . . . 0.0 109.319 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -109.05 162.53 14.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.311 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.4 mt -116.9 147.0 42.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.79 108.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 27.7 m -119.87 148.86 22.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.345 0.593 . . . . 0.0 112.36 -171.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -117.31 166.3 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -82.4 126.79 32.59 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.846 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 85' ' ' ILE . 97.3 mt . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 84' ' ' ALA . 48.1 mm -69.17 115.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.678 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -4.22 55.72 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.492 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' HH11 ' A' ' 43' ' ' ARG . 13.6 mmt180 -75.15 156.26 36.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.234 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 30.5 mtpt -96.31 152.27 18.74 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.25 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.18 170.5 27.3 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.6 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -122.84 144.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 59' ' ' VAL . 51.8 t -84.69 112.98 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.909 0.385 . . . . 0.0 111.094 -177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.4 mmm -96.19 -34.14 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.472 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -122.98 132.99 54.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.08 134.23 56.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.643 0.589 . . . . 0.0 112.3 -171.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.532 HG12 ' HA3' ' A' ' 57' ' ' GLY . 70.4 mt -111.49 138.27 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.927 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -126.5 165.85 25.57 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.78 1.98 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.789 2.326 . . . . 0.0 112.775 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -130.86 -51.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -99.21 132.08 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.324 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 m -74.33 164.87 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -135.15 -162.38 9.72 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.041 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.6 mt -130.05 131.36 45.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.684 0.278 . . . . 0.0 110.56 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 47' ' ' VAL . 34.7 m -125.63 154.84 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.832 176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 28.5 ttpp -106.01 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.75 122.73 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.078 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.27 -78.36 0.05 OUTLIER 'General case' 0 C--O 1.234 0.279 0 O-C-N 124.026 0.829 . . . . 0.0 111.23 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.8 -3.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.067 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.01 154.67 45.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 117.041 0.42 . . . . 0.0 110.86 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 10.5 t -97.85 135.22 39.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.09 0.471 . . . . 0.0 109.833 174.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -128.24 164.68 22.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.916 -176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.529 ' HA ' HD23 ' A' ' 58' ' ' LEU . 4.0 mpt_? -78.08 138.38 38.73 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.82 144.11 50.68 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.698 -174.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 149.28 48.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.005 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 m -155.85 148.25 23.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.016 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.28 7.92 76.4 Favored Glycine 0 CA--C 1.516 0.134 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.716 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.4 m -131.38 169.14 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 72' ' ' THR . 6.8 p -87.35 126.1 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.793 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 94' ' ' LYS . 66.2 mt -125.88 117.74 23.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.785 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -88.93 177.03 6.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.168 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.42 128.94 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.32 -10.6 39.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.257 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.84 171.68 8.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.284 0.564 . . . . 0.0 111.653 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -120.6 133.95 55.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.3 m -122.71 156.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.908 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.48 ' HB2' HD23 ' A' ' 95' ' ' LEU . 32.6 t -115.75 130.28 56.79 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HA ' HG12 ' A' ' 92' ' ' VAL . 45.9 t -69.5 104.86 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.263 0.554 . . . . 0.0 110.113 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -79.04 -42.26 26.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.955 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -162.68 171.91 16.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.683 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.2 mt -117.71 132.16 68.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -132.68 102.62 5.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.977 0.418 . . . . 0.0 111.043 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.55 -115.64 7.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.835 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.1 10.78 9.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.775 0.798 . . . . 0.0 110.144 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -117.07 162.4 17.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.256 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.1 mt -110.14 144.91 38.08 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.051 0.453 . . . . 0.0 109.865 173.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.7 t -102.47 109.81 27.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.6 m -122.09 153.92 26.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.055 0.455 . . . . 0.0 111.389 -173.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -119.19 162.66 18.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.712 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 74' ' ' LEU . 54.8 tttp -82.33 130.94 35.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.416 0.627 . . . . 0.0 110.712 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.122 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.699 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.1 mm -69.26 122.88 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.02 -1.82 71.1 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.928 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -95.32 165.81 12.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.928 0.394 . . . . 0.0 111.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -91.93 155.86 17.86 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.994 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.1 167.15 28.41 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.6 143.98 22.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 117.291 0.545 . . . . 0.0 110.489 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.34 113.17 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.428 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.3 mmm -91.22 -34.5 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.7 tp10 -132.06 146.77 52.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.38 135.75 57.75 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 111.237 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 65.9 mt -114.65 132.48 63.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -129.68 162.84 50.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.908 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.46 -42.54 64.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.496 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -84.39 -46.62 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -108.24 104.18 13.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.459 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 m -67.17 152.55 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -157.08 12.59 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.284 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 91.0 mt -124.85 133.27 53.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 m -129.1 150.46 34.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.963 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -110.08 118.21 35.81 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.89 110.01 29.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.71 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.894 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.43 -6.94 1.53 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.935 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.69 139.81 39.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.975 0.417 . . . . 0.0 110.57 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.3 m -97.95 123.19 41.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.1 165.8 16.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.773 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -90.34 152.15 21.15 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.0 140.91 25.9 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.835 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -119.76 164.5 15.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.252 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -166.1 170.4 13.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.01 -14.59 51.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.5 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.81 167.45 9.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.58 113.84 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.513 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 82.9 mt -102.04 131.42 48.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -99.87 170.99 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.418 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.33 131.84 32.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.94 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.54 -13.3 43.01 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.19 170.47 16.48 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.427 0.632 . . . . 0.0 111.666 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -117.64 141.87 47.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.554 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 22.7 m -124.28 160.4 28.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.012 0.434 . . . . 0.0 111.321 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -111.55 127.66 55.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.339 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -74.18 111.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -84.97 -51.44 6.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.079 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.19 168.62 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.449 . . . . 0.0 111.405 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 87' ' ' GLY . 12.5 mm -109.54 125.94 66.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.2 6.49 47.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.27 0.557 . . . . 0.0 110.678 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 122.13 -102.47 0.8 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.853 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.597 HG13 ' HG3' ' A' ' 89' ' ' LYS . 11.6 p -80.23 -15.79 12.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.204 0.526 . . . . 0.0 111.26 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HG13 ' A' ' 88' ' ' VAL . 34.3 mtmm -124.63 178.19 5.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.057 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -120.54 150.38 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.706 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -102.58 109.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.2 m -125.15 159.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.178 0.514 . . . . 0.0 111.359 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.67 162.67 29.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.128 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -70.83 131.19 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.364 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--N 1.322 -0.622 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.412 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 HD11 HG13 ' A' ' 85' ' ' ILE . 50.2 mm -82.11 128.36 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.004 -174.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.64 5.74 66.48 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.581 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -109.09 167.56 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.212 0.529 . . . . 0.0 111.614 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HE2' ' HG ' ' A' ' 95' ' ' LEU . 40.9 ttmt -91.2 143.88 26.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.304 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.0 172.74 19.58 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 p -124.17 142.93 39.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -87.32 111.15 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.75 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.551 ' HG3' ' HB2' ' A' ' 60' ' ' LYS . 26.9 mmt -91.57 -37.79 12.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 40.9 tt0 -120.43 133.21 55.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.086 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.43 33.7 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.884 0.74 . . . . 0.0 111.691 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 59.0 mt -109.04 137.46 40.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.941 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -135.97 165.22 37.45 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.698 0.285 . . . . 0.0 110.642 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.17 -10.47 27.39 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.949 2.432 . . . . 0.0 111.773 172.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -102.84 -51.26 3.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.096 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -122.62 135.66 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -74.04 157.32 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.005 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.55 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.94 -156.97 10.1 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ARG . 93.5 mt -132.16 138.76 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.09 143.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.665 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HB2' ' HG3' ' A' ' 48' ' ' MET . 34.6 tttp -108.76 122.38 47.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.962 0.41 . . . . 0.0 110.183 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.59 91.58 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.552 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 50.25 67.61 0.89 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.913 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.33 2.52 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.214 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.08 132.2 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -104.85 113.51 27.14 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.552 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -107.23 164.49 12.13 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.078 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.797 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . 64.9 mtt180 -82.14 160.53 23.09 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.676 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.17 140.76 22.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.996 0.427 . . . . 0.0 110.521 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -133.49 162.17 32.6 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 t -160.76 168.12 25.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.44 13.1 67.43 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 172.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.59 167.37 18.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.84 129.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 80' ' ' VAL . 65.9 mt -121.75 125.57 46.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.182 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 171.77 9.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.765 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.19 125.6 34.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.364 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 0.33 54.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.308 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.0 164.56 26.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.333 0.587 . . . . 0.0 111.784 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.94 121.51 45.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.258 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 74' ' ' LEU . 27.3 m -123.97 152.44 29.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.856 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 m -100.98 128.31 47.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.408 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.613 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -85.63 115.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.979 0.418 . . . . 0.0 110.636 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.22 -53.63 5.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.266 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.91 170.4 19.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.334 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 41' ' ' ILE . 49.9 mt -112.21 138.18 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.499 ' OE2' ' HE3' ' A' ' 89' ' ' LYS . 36.3 tt0 -134.99 82.86 1.98 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.73 -111.15 3.35 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.583 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.64 -2.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.475 0.655 . . . . 0.0 110.239 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 51.1 pttt -124.86 166.22 16.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.265 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.7 mt -120.01 150.1 41.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.473 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.7 107.54 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 82' ' ' VAL . 33.5 m -126.67 170.69 16.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.256 0.55 . . . . 0.0 112.199 -172.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.21 175.7 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.288 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.71 ' HG ' ' HE2' ' A' ' 44' ' ' LYS . 2.3 mm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.119 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD11 ' A' ' 85' ' ' ILE . 46.5 mm -89.29 133.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -176.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.52 3.15 61.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.508 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -100.1 173.35 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.637 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HE2' HD13 ' A' ' 95' ' ' LEU . 39.4 ttmt -84.84 143.94 28.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.43 165.85 23.09 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.28 144.82 27.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 t -85.92 116.88 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.248 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.401 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 79.8 mtp -94.7 -37.95 11.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.13 175.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.2 tp10 -120.72 135.67 55.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.02 123.41 15.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.765 0.666 . . . . 0.0 112.086 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.438 HG12 ' HA3' ' A' ' 57' ' ' GLY . 74.9 mt -91.81 123.62 44.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 22.8 p -124.7 165.08 27.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 62.9 Cg_endo -78.93 -5.51 14.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.052 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -108.02 -34.83 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.22 135.68 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m -70.36 154.79 41.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.291 -174.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -173.57 18.85 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.364 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 6.8 mp -125.36 128.64 48.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.696 0.284 . . . . 0.0 110.56 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 80' ' ' VAL . 20.0 m -115.97 142.69 28.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 22.2 tttp -103.43 114.41 28.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.027 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.09 87.3 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.715 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.97 -70.37 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.937 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.51 -11.31 2.46 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.536 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.27 158.52 15.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 m -132.46 117.58 18.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -119.39 165.13 14.72 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.606 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -80.42 150.42 29.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.62 140.22 35.02 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.685 -174.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.498 HG21 ' HD2' ' A' ' 89' ' ' LYS . 20.2 p -129.5 139.3 51.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.605 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -152.1 165.9 33.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.81 -22.4 49.85 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.288 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 169.08 11.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.32 129.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 80' ' ' VAL . 46.7 mt -127.18 120.48 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.316 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.57 -179.98 5.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.627 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.21 138.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.354 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.67 -7.81 71.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.903 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -77.21 173.4 11.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.27 0.557 . . . . 0.0 111.687 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.07 129.77 55.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.802 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 74' ' ' LEU . 35.8 m -117.94 146.01 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.341 0.591 . . . . 0.0 111.316 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -105.15 122.05 45.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.395 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.8 t -79.35 110.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.85 0.357 . . . . 0.0 110.189 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -83.21 -47.54 11.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.397 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -158.12 179.24 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.027 0.441 . . . . 0.0 111.774 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 41' ' ' ILE . 37.2 mt -109.47 138.76 35.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.92 79.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.5 -117.26 6.55 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.72 0.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.892 0.853 . . . . 0.0 109.687 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HD2' HG21 ' A' ' 69' ' ' THR . 28.3 mtmt -106.84 154.02 21.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.33 141.5 38.59 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -89.54 106.69 17.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.0 m -128.09 161.47 36.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 -172.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -149.42 169.51 20.69 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.215 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -68.24 140.79 56.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -175.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 121.109 0.481 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.68 132.11 32.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.956 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.71 68.05 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.713 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -99.21 164.13 12.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.75 0.309 . . . . 0.0 110.513 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -94.9 144.66 25.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -137.6 -172.89 12.7 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.17 144.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 120.756 0.312 . . . . 0.0 110.437 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.3 118.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 3.0 mmt -100.42 -34.24 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 0.0 110.174 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 7.9 tp10 -121.25 137.98 54.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.706 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.51 129.58 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.667 0.604 . . . . 0.0 111.312 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 80.2 mt -103.28 120.06 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.959 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 p -136.92 159.19 71.1 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.68 -29.71 84.13 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.869 2.379 . . . . 0.0 111.563 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -72.22 -51.74 19.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.548 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -133.97 130.02 37.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.988 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -70.32 154.65 41.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.137 0.494 . . . . 0.0 111.06 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.66 -164.08 21.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.752 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.419 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 81.6 mt -130.29 123.91 31.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.721 0.296 . . . . 0.0 110.58 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.99 140.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -109.01 105.64 15.25 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.324 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 47.3 t -116.56 107.09 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.0 t70 66.36 10.86 7.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.35 174.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.33 -21.93 9.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.13 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -87.16 144.63 26.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -114.17 122.81 47.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.93 0.395 . . . . 0.0 110.167 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -125.46 165.34 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.239 -178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -81.44 153.43 26.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.7 142.21 33.33 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.33 0.586 . . . . 0.0 112.441 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 p -134.27 157.98 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.591 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 t -162.94 160.89 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.5 -8.04 88.05 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.2 m -116.21 169.71 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' H ' HG22 ' A' ' 72' ' ' THR . 7.5 p -95.83 132.06 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 53.2 mt -123.36 127.43 48.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.32 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.26 178.01 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.33 136.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.947 -174.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -7.96 67.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.299 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.76 169.64 17.91 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.336 0.589 . . . . 0.0 111.366 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -114.18 135.03 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.847 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 18.9 m -125.65 153.22 33.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.016 0.436 . . . . 0.0 111.609 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.573 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 43.1 t -110.27 124.88 52.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.189 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.3 t -71.32 105.35 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -92.78 -45.32 8.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -173.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.86 -177.74 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.559 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.6 mt -128.26 143.0 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.466 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.82 90.81 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.81 -119.55 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.27 7.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.622 . . . . 0.0 109.894 175.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -108.12 139.68 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.224 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.26 148.24 22.62 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.841 0.353 . . . . 0.0 110.28 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.26 108.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 23.1 m -116.43 153.9 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.082 0.468 . . . . 0.0 111.569 -172.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.573 ' HG3' ' HB3' ' A' ' 81' ' ' SER . 7.4 pt-20 -117.34 162.93 17.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.868 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -77.43 124.19 27.56 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.758 -178.585 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.995 0.426 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -82.58 123.78 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.304 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.42 6.61 58.56 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.083 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -88.09 158.18 18.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.57 144.38 25.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.614 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.32 164.84 22.78 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 p -118.17 143.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 113.37 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.859 0.361 . . . . 0.0 110.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mmt -96.66 -34.48 11.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.117 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -124.35 142.73 51.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.444 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.98 122.92 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.805 0.69 . . . . 0.0 111.907 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.545 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.0 mt -95.18 119.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.674 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 p -131.67 163.28 50.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 0.0 111.421 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.03 -6.64 16.5 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.159 2.572 . . . . 0.0 111.993 171.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.41 -56.2 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.386 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -131.74 138.31 48.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.908 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -66.47 146.71 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -99.88 -173.13 30.42 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.616 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -121.9 127.01 49.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.838 0.351 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.3 147.45 24.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.621 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -110.44 109.03 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.001 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.1 t -88.12 90.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.184 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 69.86 -67.82 0.22 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.728 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 11.8 1.91 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.112 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -124.99 144.49 50.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.11 0.455 . . . . 0.0 110.812 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.4 m -99.47 121.2 40.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.086 0.47 . . . . 0.0 110.715 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -129.57 164.76 23.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.974 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.523 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.4 mpt_? -84.94 170.73 12.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.26 139.99 19.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.875 0.369 . . . . 0.0 111.296 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -119.52 134.19 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.216 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 t -137.46 168.55 19.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 -18.21 42.09 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -115.61 160.64 19.74 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 122.444 0.298 . . . . 0.0 110.292 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.2 121.09 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.439 0.638 . . . . 0.0 110.393 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.515 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 66.2 mt -111.66 122.98 49.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -93.95 176.74 6.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.354 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.34 124.97 30.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.766 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.11 2.74 41.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.504 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.62 164.38 23.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.31 0.576 . . . . 0.0 111.922 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -112.44 123.24 49.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.864 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.87 147.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.775 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.9 m -100.11 126.09 46.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.894 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 38.3 t -81.13 112.7 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -85.14 -45.93 11.59 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.62 158.47 42.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.512 HG12 HD22 ' A' ' 90' ' ' LEU . 65.2 mt -102.82 132.88 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -124.38 79.58 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.52 -115.97 5.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.904 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.39 7.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.336 0.589 . . . . 0.0 110.858 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 10.5 ptpp? -126.23 154.97 42.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 85' ' ' ILE . 56.6 mt -109.18 149.32 29.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.144 0.497 . . . . 0.0 111.438 -175.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 106.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 34.9 m -126.78 160.04 35.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.981 -172.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.58 161.81 31.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.538 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.11 137.74 45.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.68 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 174.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 61' ' ' VAL . 85.0 mt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.706 HD11 HG13 ' A' ' 85' ' ' ILE . 46.9 mm -76.21 124.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.126 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.47 0.06 59.61 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.93 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.62 153.65 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -86.72 143.35 27.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.791 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 163.08 24.11 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.31 142.97 28.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-O 120.941 0.4 . . . . 0.0 110.283 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -87.07 110.55 20.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.6 mmt -93.46 -30.39 15.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.023 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -131.48 138.51 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 134.49 56.13 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.879 0.737 . . . . 0.0 111.865 -174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.493 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.1 mt -100.95 115.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.816 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.89 166.6 20.41 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.42 -34.33 54.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.845 2.364 . . . . 0.0 112.203 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.36 -44.22 13.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -123.15 126.34 46.84 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 110.602 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 151.99 42.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.315 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -103.6 178.95 25.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.556 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.405 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.9 mt -120.22 125.58 48.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.016 0.436 . . . . 0.0 111.162 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.38 159.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.07 120.39 27.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 40' ' ' LEU . 42.8 t -109.26 103.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.917 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 67.24 -74.96 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.93 0.768 . . . . 0.0 111.651 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.75 -1.47 2.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.831 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -111.13 138.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -98.91 120.63 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.318 0.58 . . . . 0.0 110.056 175.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -117.24 160.58 20.85 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.106 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HD3' HG12 ' A' ' 88' ' ' VAL . 9.0 mpt_? -86.81 161.57 18.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.62 146.15 31.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.919 0.39 . . . . 0.0 111.829 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.401 ' OG1' ' HD3' ' A' ' 89' ' ' LYS . 31.7 p -132.2 142.13 49.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.659 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 t -152.7 160.79 43.14 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.42 74.27 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.327 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.7 p -100.7 144.7 29.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.511 0.196 . . . . 0.0 110.978 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.8 131.24 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.037 0.446 . . . . 0.0 109.87 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.3 mt -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.182 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.13 164.89 14.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.171 0.51 . . . . 0.0 111.184 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.28 139.78 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.441 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -11.27 61.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.278 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -78.2 172.43 13.57 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.281 0.562 . . . . 0.0 111.721 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.21 138.92 54.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.335 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.2 m -130.64 156.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.104 0.478 . . . . 0.0 112.116 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -103.45 121.47 42.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.492 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.6 t -77.02 109.76 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -97.74 -34.89 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.466 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.85 156.63 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.525 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.706 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -111.79 133.11 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.52 97.29 2.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 -123.14 5.94 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.611 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG12 ' HD3' ' A' ' 67' ' ' ARG . 7.3 t -105.69 2.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.686 0.755 . . . . 0.0 109.521 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HD3' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -123.61 151.23 43.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.324 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG12 ' A' ' 85' ' ' ILE . 56.7 mt -99.57 150.32 22.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.555 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 52.1 t -95.9 107.34 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 172.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.2 m -120.07 160.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.32 0.581 . . . . 0.0 112.069 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -119.87 159.26 24.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.29 140.13 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.425 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HA ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 mt . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.074 0.464 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.75 121.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.66 15.85 48.11 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.206 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 8.2 mmp_? -93.46 159.87 15.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.099 0.476 . . . . 0.0 110.607 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -86.77 143.39 27.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.442 176.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.608 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -140.99 171.91 23.92 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -125.45 143.0 40.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.656 0.265 . . . . 0.0 110.496 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.8 t -87.28 109.75 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.8 mtp -95.13 -36.02 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.964 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 11.0 tp10 -120.07 134.83 55.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.78 124.9 17.96 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.586 0.554 . . . . 0.0 111.954 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.541 HG12 ' HA3' ' A' ' 57' ' ' GLY . 66.8 mt -101.13 126.23 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.134 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 p -128.69 160.67 61.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.2 -32.09 86.2 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.756 2.304 . . . . 0.0 111.924 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -84.58 -58.83 2.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.215 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.67 129.75 55.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -173.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -67.53 158.3 32.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.475 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -118.98 -164.09 12.66 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.3 mt -127.12 128.63 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.958 0.408 . . . . 0.0 111.242 -176.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.71 155.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -121.07 115.27 22.81 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.908 0.385 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.19 71.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 65.13 -76.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.457 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.53 -32.26 8.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.29 -174.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -117.43 141.79 47.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -99.45 122.56 42.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.326 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.41 156.47 27.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.17 141.02 32.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.9 140.48 46.84 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.148 0.499 . . . . 0.0 111.965 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 p -114.7 144.42 43.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.871 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 m -145.01 158.51 43.79 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.208 0.317 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 7.52 70.5 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.46 168.39 15.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.21 110.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 80' ' ' VAL . 76.0 mt -101.6 125.63 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 110.856 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.58 161.07 21.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.853 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.22 131.85 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 1.0 61.55 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.297 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.91 164.72 24.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.476 0.655 . . . . 0.0 111.701 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -114.75 124.56 52.08 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.15 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 74' ' ' LEU . 26.8 m -125.62 154.28 34.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.048 0.451 . . . . 0.0 111.894 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m -102.92 130.53 50.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.897 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -77.4 105.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -90.2 -33.01 16.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.266 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.27 179.23 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.8 mt -125.15 136.19 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -133.61 110.36 9.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.89 -114.67 4.28 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 88' ' ' VAL . 13.6 t -119.45 8.22 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.882 0.849 . . . . 0.0 108.913 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -110.25 153.48 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.393 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.22 148.1 23.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.288 0.566 . . . . 0.0 110.768 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.56 100.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.9 m -117.21 157.53 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -174.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -146.09 155.65 42.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 40.4 tttp -66.56 142.97 57.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.165 -171.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.714 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 8.0 mp . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.839 169.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.091 0.472 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 85' ' ' ILE . 50.0 mm -61.69 122.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.88 67.47 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.68 -0.771 . . . . 0.0 113.042 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -101.12 168.08 9.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -102.32 152.97 20.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.63 -170.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.35 172.24 27.8 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.21 143.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.3 t -83.99 108.42 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.458 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mmm -92.23 -35.5 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.361 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 58' ' ' LEU . 10.1 tp10 -122.76 137.35 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 134.72 56.83 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.553 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 74' ' ' LEU . 65.2 mt -100.56 121.95 51.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.096 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 p -122.82 158.15 57.91 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.937 0.399 . . . . 0.0 111.06 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.69 -35.2 86.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.243 2.629 . . . . 0.0 112.814 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.14 -39.92 17.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.265 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -132.85 127.44 34.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 0.0 111.081 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 m -68.93 156.82 37.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.18 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.96 -165.11 21.42 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.068 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 96.1 mt -127.42 128.39 45.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.729 0.3 . . . . 0.0 110.371 -177.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 47' ' ' VAL . 35.1 m -126.46 146.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.267 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.16 124.08 46.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -131.08 117.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.419 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 74.98 -35.35 0.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.925 0.766 . . . . 0.0 112.096 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.88 -27.89 0.11 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.121 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.93 155.38 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.432 . . . . 0.0 111.016 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -104.0 119.77 39.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.858 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -116.6 162.72 17.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 -175.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.76 133.85 35.72 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.29 141.22 51.77 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.36 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 161.34 35.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.781 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.0 p -166.42 -174.53 2.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.942 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.03 2.22 61.45 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.448 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 167.64 10.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.722 0.296 . . . . 0.0 110.617 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.06 102.64 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 51' ' ' ILE . 85.6 mt -99.88 130.77 46.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.37 172.44 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.528 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.4 t -77.19 121.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.222 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.6 -20.86 8.18 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.7 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.11 165.62 23.77 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.239 0.542 . . . . 0.0 111.558 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -115.16 132.68 56.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.353 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 74' ' ' LEU . 29.1 m -126.27 158.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -120.93 138.3 54.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.858 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 37.4 t -71.59 121.93 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.942 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -95.69 -44.38 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.095 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.09 -178.3 7.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.583 HG13 HD11 ' A' ' 41' ' ' ILE . 44.1 mt -128.47 132.89 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.823 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.35 94.76 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.9 -107.68 2.31 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.196 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.22 4.37 8.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 109.182 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.95 152.82 22.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.194 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -103.27 144.79 30.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.69 111.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.3 m -122.41 157.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.33 -174.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.15 153.26 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 80' ' ' VAL . 17.0 ttpp -77.51 132.35 38.34 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.717 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' HG11 ' A' ' 61' ' ' VAL . 1.1 pt? . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.796 0.331 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.2 mm -70.47 113.61 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 13.98 59.44 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.844 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -109.77 170.9 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 111.257 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.521 ' HZ3' ' HB3' ' A' ' 44' ' ' LYS . 10.5 mtpm? -87.91 147.84 24.89 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.499 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.46 135.8 6.82 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.112 174.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.2 143.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-O 120.914 0.388 . . . . 0.0 109.995 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -82.98 116.51 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 86.5 mtp -96.49 -32.29 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.268 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -129.69 141.0 50.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.682 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.35 124.15 17.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.821 0.701 . . . . 0.0 112.283 -173.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 73.1 mt -89.16 116.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.897 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.476 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 43.7 p -137.97 165.74 31.32 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.082 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 39.1 Cg_endo -81.09 4.35 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.66 2.24 . . . . 0.0 111.416 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -98.48 -41.02 7.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.585 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -149.47 127.95 12.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.691 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -59.68 147.85 36.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 110.415 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -96.24 175.72 32.28 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.883 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.6 mt -116.75 127.44 54.37 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.93 141.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.632 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 64.5 tttm -98.67 106.87 19.19 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 40' ' ' LEU . 27.8 t -116.0 124.38 72.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.768 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 66.13 -83.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.934 0.771 . . . . 0.0 110.214 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.65 2.49 1.07 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.235 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -112.04 152.6 28.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.993 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -99.9 114.2 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -108.01 163.97 12.68 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 4.2 mpt_? -91.21 143.48 26.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.41 152.26 46.93 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.245 0.545 . . . . 0.0 112.165 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -144.43 159.7 42.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.415 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 72' ' ' THR . 6.4 t -151.02 8.14 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.296 0.57 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.53 1.26 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.324 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.0 m -105.87 171.53 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG22 ' A' ' 72' ' ' THR . 7.9 p -85.87 134.19 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.498 . . . . 0.0 111.294 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -128.54 131.5 48.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.07 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.84 178.88 5.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.04 137.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.506 -175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.31 -6.13 63.3 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.161 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.78 164.58 26.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.33 0.586 . . . . 0.0 112.094 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.83 123.21 45.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.698 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.82 160.98 34.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.954 0.407 . . . . 0.0 111.347 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.6 m -112.57 132.05 55.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.269 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 HG12 ' A' ' 92' ' ' VAL . 46.3 t -89.18 108.46 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.151 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -96.48 -37.65 10.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.72 170.64 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 111.275 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -125.83 131.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.18 94.55 4.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.29 -112.53 3.78 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.02 1.3 10.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.662 0.744 . . . . 0.0 109.753 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -108.8 153.18 23.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.734 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -100.84 146.07 27.77 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.936 0.398 . . . . 0.0 110.397 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.55 100.49 10.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 82' ' ' VAL . 34.2 m -112.6 156.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.465 -172.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.21 158.1 40.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.02 143.06 47.67 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.506 HD21 ' HE2' ' A' ' 44' ' ' LYS . 4.6 mp . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.836 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 85' ' ' ILE . 45.3 mm -74.51 129.92 36.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.044 -176.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.64 12.1 75.84 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.834 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -117.23 159.45 22.64 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.723 -0.281 . . . . 0.0 110.365 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -92.58 152.84 19.39 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.556 0.693 . . . . 0.0 111.504 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.37 -179.9 19.63 Favored Glycine 0 N--CA 1.436 -1.365 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.558 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.88 143.68 34.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' HA ' HG12 ' A' ' 59' ' ' VAL . 26.4 t -84.24 114.4 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.962 0.41 . . . . 0.0 110.26 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.6 mmm -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.7 142.16 49.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.954 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.37 135.06 45.55 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.578 0.549 . . . . 0.0 111.558 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.523 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.4 mt -109.49 129.91 63.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.191 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -123.13 160.95 47.51 Favored Pre-proline 0 N--CA 1.447 -0.598 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' SER . 27.6 Cg_exo -60.87 -19.4 61.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.052 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -99.45 -54.0 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -109.93 135.56 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.61 154.69 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.225 0.536 . . . . 0.0 111.136 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.13 -168.46 17.08 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.271 -1.131 . . . . 0.0 110.271 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.2 134.99 49.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.305 0.553 . . . . 0.0 110.758 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 47' ' ' VAL . 20.1 m -130.15 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.185 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -104.55 110.3 22.53 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 49.0 t -130.6 130.69 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.836 -175.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.6 t70 72.03 -1.72 2.78 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.733 0.646 . . . . 0.0 110.9 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.44 -20.13 11.29 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.825 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -99.53 156.36 17.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.494 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 m -97.46 121.51 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -118.22 163.25 16.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.986 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -82.36 148.59 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.32 140.72 45.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.978 0.418 . . . . 0.0 111.514 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.6 p -126.17 135.38 51.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 27.2 m -138.93 160.57 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.396 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.94 -5.4 87.82 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.195 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.98 168.59 18.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.0 p -84.91 125.06 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.561 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.98 141.91 46.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.98 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.63 176.12 5.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.157 0.503 . . . . 0.0 110.981 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.92 138.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.883 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.18 -13.63 64.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.207 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.94 166.56 21.9 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.448 0.642 . . . . 0.0 112.035 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.65 127.45 55.28 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.045 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.93 163.1 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -123.82 139.33 54.08 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.033 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.0 t -86.24 117.44 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 -176.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -102.48 -28.49 12.16 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.8 165.04 33.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.759 0.314 . . . . 0.0 111.484 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -117.01 137.16 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.15 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 89' ' ' LYS . 8.8 tp10 -128.09 45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.813 0.816 . . . . 0.0 109.21 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 87.25 -120.93 5.65 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.791 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.4 m -79.93 -6.67 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.345 0.593 . . . . 0.0 110.097 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HE3' ' HG3' ' A' ' 86' ' ' GLU . 36.7 mtmt -107.03 143.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.313 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.44 147.76 34.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.094 0.473 . . . . 0.0 110.257 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 51.7 t -94.31 101.49 12.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.8 m -125.42 159.08 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.176 -173.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -145.49 165.05 29.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.842 172.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.23 135.9 46.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.241 0.543 . . . . 0.0 110.797 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.059 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 HG12 ' A' ' 85' ' ' ILE . 49.9 mm -69.82 119.21 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.529 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.82 55.46 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.605 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.19 175.71 5.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.936 0.398 . . . . 0.0 110.514 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 79' ' ' GLU . 37.2 ttpt -99.07 146.71 25.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.614 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.05 172.7 21.32 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 11.1 p -122.52 143.77 34.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.692 0.282 . . . . 0.0 110.263 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' HA ' HG12 ' A' ' 59' ' ' VAL . 43.2 t -84.33 119.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.7 -33.76 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.018 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 29.1 tt0 -131.11 137.23 48.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.57 136.84 31.71 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.753 0.658 . . . . 0.0 112.063 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' HA3' ' A' ' 57' ' ' GLY . 61.9 mt -115.0 132.92 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.232 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 p -132.28 160.94 65.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.419 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.97 -24.49 57.53 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.004 2.47 . . . . 0.0 112.35 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.83 -57.65 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -105.15 118.04 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.733 0.302 . . . . 0.0 110.354 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -67.45 160.93 26.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.135 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -129.47 -167.24 12.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.429 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 67.8 mt -118.79 138.47 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 110.987 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 47' ' ' VAL . 17.8 m -129.74 151.53 35.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 4.3 tppt? -98.42 116.82 31.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.4 t -132.72 119.32 37.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.028 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 69.6 8.95 7.01 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.952 0.782 . . . . 0.0 111.026 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.95 -20.79 21.51 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.137 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.37 155.74 17.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 0.0 110.518 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -101.2 118.64 37.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -118.34 165.32 14.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.1 mpt_? -86.46 146.04 26.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.93 140.12 45.49 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 p -118.86 131.94 56.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.333 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 t -147.48 147.42 30.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.99 37.06 3.29 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.91 162.87 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 p -91.15 108.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.473 0.654 . . . . 0.0 110.037 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 80' ' ' VAL . 64.3 mt -107.19 122.27 46.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.407 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -82.85 165.7 19.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.287 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.67 133.75 31.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.185 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.44 -11.47 70.18 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.631 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.75 170.68 11.92 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.278 0.561 . . . . 0.0 111.599 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 44' ' ' LYS . 36.0 mt-10 -116.14 128.66 55.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.778 -178.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 74' ' ' LEU . 20.7 m -121.38 149.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.013 0.435 . . . . 0.0 111.737 -176.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 m -95.9 123.06 39.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.007 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.9 t -83.75 113.65 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -102.01 -37.51 8.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.47 163.56 39.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 111.485 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.566 HG12 HD11 ' A' ' 41' ' ' ILE . 27.0 mm -106.92 134.32 48.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.236 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -127.69 93.29 3.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.006 0.431 . . . . 0.0 110.319 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.63 -115.67 8.26 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.297 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.94 11.2 6.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 29.2 mtmt -121.4 156.84 31.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.278 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 mt -104.64 143.0 33.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.841 0.353 . . . . 0.0 110.074 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.55 105.0 16.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -125.35 154.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -174.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.9 165.96 24.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 95' ' ' LEU . 40.5 tttt -69.64 147.02 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.652 0.263 . . . . 0.0 110.694 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.3 mm? . . . . . 0 C--O 1.233 0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.386 170.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 61' ' ' VAL . 59.3 mt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.39 0.614 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 85' ' ' ILE . 50.1 mm -73.25 135.62 27.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.563 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.24 26.42 61.78 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.584 -0.734 . . . . 0.0 113.487 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -125.79 160.3 30.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.952 0.376 . . . . 0.0 110.483 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -95.64 144.97 25.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.01 -179.95 18.35 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 60' ' ' LYS . 10.3 p -120.99 144.29 30.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.43 116.8 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.9 mmm -98.43 -24.0 15.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.254 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.61 149.66 41.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.91 123.23 13.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.85 0.719 . . . . 0.0 111.485 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.554 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.7 mt -105.48 119.29 54.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.992 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.47 166.37 14.79 Favored Pre-proline 0 N--CA 1.444 -0.759 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 22.6 Cg_exo -63.2 -35.09 65.8 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 111.856 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' OE1' ' HD2' ' A' ' 53' ' ' PRO . 20.3 mp0 -83.03 -45.48 14.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.429 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -120.62 124.47 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -68.07 158.22 33.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.117 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.1 -163.38 12.36 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.714 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.1 mt -120.28 137.1 54.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.651 0.263 . . . . 0.0 111.093 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG13 HD11 ' A' ' 51' ' ' ILE . 18.2 m -130.02 152.78 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.192 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HB3' HG12 ' A' ' 46' ' ' VAL . 38.7 ttmt -94.71 123.1 37.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.23 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 40' ' ' LEU . 47.5 t -124.98 110.34 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.82 -80.27 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.074 0.859 . . . . 0.0 111.349 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.96 5.54 1.97 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.25 160.55 22.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -101.87 113.08 25.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.431 ' CD1' ' HB ' ' A' ' 61' ' ' VAL . 67.2 m95 -104.69 163.34 12.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.235 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 7.3 mpt_? -91.08 144.36 25.73 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 92' ' ' VAL . . . -143.99 140.22 29.5 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.109 0.48 . . . . 0.0 111.462 -174.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 159.72 22.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.294 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -159.79 172.8 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.05 -3.85 55.62 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.31 166.62 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.35 115.64 29.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.05 0.453 . . . . 0.0 110.397 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 80' ' ' VAL . 47.8 mt -105.48 126.27 51.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.397 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.44 165.46 12.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.483 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.6 t -73.54 116.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.401 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.69 -18.43 7.17 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.887 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -74.88 169.01 18.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.278 0.561 . . . . 0.0 111.575 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -121.47 135.18 55.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.556 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 74' ' ' LEU . 30.6 m -129.19 156.35 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 -177.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 m -113.05 137.59 51.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.186 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.43 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -80.16 114.74 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.238 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -76.68 -53.6 7.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.516 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -158.75 179.92 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.692 -175.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 87' ' ' GLY . 54.7 mt -117.6 132.45 67.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -107.66 12.8 27.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.0 111.104 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 136.41 -113.94 1.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.06 -6.99 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.521 0.677 . . . . 0.0 109.858 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -116.68 160.09 21.25 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 mt -107.83 147.95 30.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.028 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.9 100.57 10.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.497 HG22 ' HB1' ' A' ' 68' ' ' ALA . 29.1 m -117.82 156.29 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.863 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -138.98 157.04 46.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG12 ' A' ' 80' ' ' VAL . 24.4 ttpp -69.74 143.08 53.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.292 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.326 -0.434 0 O-C-N 123.462 0.476 . . . . 0.0 110.299 171.23 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.191 0.519 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.461 HD13 HG12 ' A' ' 82' ' ' VAL . 47.7 mm -76.17 124.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.25 57.6 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.632 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 43' ' ' ARG . 34.2 mtt180 -114.57 170.75 8.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 79' ' ' GLU . 27.3 ttmt -89.26 144.84 25.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.166 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.45 144.47 16.29 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.72 143.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 117.49 0.645 . . . . 0.0 110.577 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 59' ' ' VAL . 49.8 t -85.72 111.71 21.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.95 -176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 80.5 mtp -90.97 -37.59 13.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.286 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -123.63 140.85 52.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.689 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.29 116.97 3.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.691 0.619 . . . . 0.0 112.189 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 HD12 HD12 ' A' ' 74' ' ' LEU . 66.8 mt -85.67 139.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.569 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 p -150.98 162.58 26.44 Favored Pre-proline 0 C--N 1.322 -0.626 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.323 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.71 -16.19 49.63 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.62 2.213 . . . . 0.0 111.218 171.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -70.15 -48.62 56.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.992 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -163.77 166.65 21.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.745 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.93 154.56 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.842 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.533 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -112.76 -174.62 19.3 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 93.5 mt -120.22 124.41 45.6 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.844 0.322 . . . . 0.0 110.605 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 47' ' ' VAL . 25.9 m -121.26 143.74 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 38.8 ttpt -94.39 114.31 26.33 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.5 81.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t70 72.95 -32.56 0.25 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.455 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.48 -54.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.1 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.35 164.82 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.564 -0.374 . . . . 0.0 111.055 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -98.05 138.33 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.292 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -132.75 165.18 25.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.495 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.537 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 6.5 mpt_? -79.7 145.73 32.8 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.45 140.73 39.38 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.129 0.49 . . . . 0.0 111.549 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.5 p -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.393 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 p -151.83 169.4 22.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.073 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.91 27.44 16.36 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.159 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.3 m -147.2 171.57 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 p -94.57 131.92 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 51' ' ' ILE . 69.5 mt -121.86 144.0 49.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.954 -175.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -101.22 161.59 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.056 0.455 . . . . 0.0 111.279 -176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.84 128.85 34.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.752 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.06 -5.41 53.04 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.226 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.19 171.65 14.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.095 0.474 . . . . 0.0 111.147 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.525 ' HB3' ' HD3' ' A' ' 44' ' ' LYS . 33.7 mt-10 -124.34 132.54 53.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.614 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.0 m -123.65 153.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 111.583 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -100.45 126.79 46.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.621 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 92' ' ' VAL . 25.7 t -79.16 112.87 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.866 0.365 . . . . 0.0 110.192 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -95.95 -43.66 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.148 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.72 -179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.758 0.314 . . . . 0.0 111.517 -175.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.17 134.96 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 83.87 2.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.41 -110.72 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.758 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.21 0.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.882 0.848 . . . . 0.0 109.794 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . 40.5 mtmt -101.18 161.45 13.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.742 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.7 147.13 37.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.954 0.407 . . . . 0.0 109.961 174.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 60.8 t -97.53 112.67 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -123.6 163.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.121 0.486 . . . . 0.0 111.792 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -131.68 159.19 39.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.51 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 62.6 tttm -86.76 137.12 32.69 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.857 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 10.3 mp . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 168.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 85' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.67 99.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.26 0.553 . . . . 0.0 110.148 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.25 2.85 26.25 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.195 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 43' ' ' ARG . 22.0 mmt180 -80.51 166.84 20.8 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 111.05 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 32.9 mtpt -85.89 167.06 15.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.027 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.64 138.73 5.66 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 173.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 13.4 p -102.89 143.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.02 107.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.939 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.1 mmm -87.8 -35.06 18.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.717 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.7 139.69 52.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.31 126.34 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.899 0.749 . . . . 0.0 112.036 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 74' ' ' LEU . 74.8 mt -87.17 123.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.678 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -133.37 161.15 65.53 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.854 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.14 -29.05 81.92 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.949 2.433 . . . . 0.0 112.091 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.41 -59.38 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.02 120.23 41.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.753 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 143.61 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.562 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -92.01 174.75 37.62 Favored Glycine 0 C--N 1.315 -0.638 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.277 -172.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -109.7 121.0 44.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 14.8 m -108.67 134.02 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.92 107.77 20.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.4 108.95 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 62.76 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.9 -174.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.33 5.41 3.24 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.908 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -119.79 141.26 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -99.88 133.11 44.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.594 0.711 . . . . 0.0 111.085 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.09 165.1 14.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.268 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.577 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 3.2 mpt_? -93.23 143.98 25.73 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -130.95 140.1 50.12 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.124 0.488 . . . . 0.0 112.132 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -117.61 130.02 56.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.794 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -142.94 162.41 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.57 -20.93 49.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.111 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.73 150.43 22.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.484 0.183 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 52.7 t -81.61 104.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.208 0.528 . . . . 0.0 109.691 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 51' ' ' ILE . 92.5 mt -95.19 132.12 40.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.009 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.41 162.45 21.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.339 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.25 122.5 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.86 -11.87 27.31 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.908 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.63 167.38 20.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.107 0.48 . . . . 0.0 111.362 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -123.88 141.17 52.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.213 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.15 176.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.158 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -130.89 140.75 50.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.123 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -81.42 121.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -176.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.64 -48.85 6.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.677 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.97 166.1 25.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' LEU . 45.0 mt -129.64 127.05 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -129.68 95.33 3.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.382 0.61 . . . . 0.0 111.034 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.18 -108.98 2.67 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.896 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.476 ' HB ' HH11 ' A' ' 67' ' ' ARG . 28.3 m -104.99 2.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -115.31 143.21 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.433 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.91 140.92 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.708 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.9 107.1 18.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -127.62 165.69 26.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.92 164.64 36.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.774 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.54 130.5 43.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.554 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.616 -179.862 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 85' ' ' ILE . 49.4 mm -83.39 125.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.41 . . . . 0.0 111.176 -174.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 12.04 74.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.811 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -101.84 164.45 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 111.207 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 5.8 tmmm? -87.17 144.83 26.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.225 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -139.51 169.89 24.39 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -124.48 143.81 36.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.55 118.19 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.935 0.398 . . . . 0.0 111.032 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mmt -102.97 -23.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.1 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -136.84 145.06 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.87 125.76 21.51 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.672 0.607 . . . . 0.0 112.049 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HA3' ' A' ' 57' ' ' GLY . 71.0 mt -105.46 129.9 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.217 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.4 p -134.89 163.02 54.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.843 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.21 -22.21 72.51 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.622 2.215 . . . . 0.0 111.327 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -83.08 -59.48 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.743 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -123.6 132.26 53.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.021 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -62.34 155.94 23.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.053 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ARG . . . -112.56 -157.33 13.19 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 80.1 mt -125.41 128.82 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.407 . . . . 0.0 110.828 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.42 144.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -93.19 107.01 18.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.0 t -98.38 103.89 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.15 -73.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.192 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -0.55 0.66 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.472 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -120.22 153.88 35.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.369 0.584 . . . . 0.0 110.728 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -102.24 125.84 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -127.1 156.84 41.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.763 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 4.4 mpt_? -72.47 143.18 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.63 142.64 30.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.157 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -120.33 164.0 16.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -162.23 178.9 8.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.09 -8.02 67.27 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.236 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -119.5 164.73 15.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.72 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 21.6 t -92.75 95.39 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.182 0.515 . . . . 0.0 109.629 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 73.2 mt -86.45 129.81 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.12 164.75 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.12 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.41 130.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.645 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 -10.53 39.59 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.893 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.03 164.28 25.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.513 0.673 . . . . 0.0 112.1 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -107.16 135.2 49.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.732 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.83 163.35 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.022 0.439 . . . . 0.0 111.307 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -124.31 133.26 53.51 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.7 t -80.24 115.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.279 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.44 -53.91 7.08 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -161.73 174.92 12.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.504 HG13 HD11 ' A' ' 41' ' ' ILE . 61.0 mt -105.09 138.12 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.232 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -121.85 79.34 1.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.942 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.95 -104.33 1.08 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.424 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 -4.41 9.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.575 0.702 . . . . 0.0 110.163 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -108.92 166.4 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -119.82 151.37 38.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -106.84 112.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -119.65 163.2 17.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.507 . . . . 0.0 111.834 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -110.68 176.65 4.95 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -93.85 122.63 36.53 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.868 -176.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 61' ' ' VAL . 40.4 mt . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.17 0.509 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 82' ' ' VAL . 48.8 mm -61.26 122.7 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.326 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.7 -15.51 58.39 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.898 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -102.54 176.31 5.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 111.357 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 37.4 ttmt -88.65 148.03 24.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.472 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 44' ' ' LYS . . . -131.99 155.9 21.69 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 171.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.46 142.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 117.322 0.561 . . . . 0.0 110.683 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.69 110.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 83.3 mtp -94.11 -30.58 14.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.8 tp10 -125.9 137.72 53.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.642 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.04 117.45 4.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.965 0.79 . . . . 0.0 112.212 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 74' ' ' LEU . 70.7 mt -81.2 104.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.408 176.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -108.4 155.19 40.8 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-O 120.841 0.353 . . . . 0.0 110.803 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 73' ' ' VAL . 35.5 Cg_exo -60.53 -22.32 71.68 Favored 'Trans proline' 0 CA--C 1.526 0.083 0 C-N-CA 122.964 2.443 . . . . 0.0 112.145 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -94.33 -27.86 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.547 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -146.98 131.45 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -63.03 153.76 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.089 0.471 . . . . 0.0 111.273 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.58 -179.94 22.15 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.304 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.7 mt -117.43 126.27 52.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.712 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.32 142.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 54.7 tttp -101.99 114.55 28.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.275 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 40' ' ' LEU . 2.4 t -132.57 143.02 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.49 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.731 0.644 . . . . 0.0 110.489 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.25 7.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 68.1 mm-40 -113.56 164.96 12.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.664 0.269 . . . . 0.0 110.796 -176.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -109.95 109.72 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.421 0.629 . . . . 0.0 109.379 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.473 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 79.8 m95 -104.22 155.93 18.32 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.383 -173.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.89 135.92 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.3 142.1 51.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.085 0.469 . . . . 0.0 111.573 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.4 p -131.14 148.12 52.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.873 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -152.37 175.89 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.64 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.69 24.14 30.87 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.959 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.9 m -151.22 172.17 16.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.488 ' H ' HG22 ' A' ' 72' ' ' THR . 7.7 p -96.21 126.25 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.326 0.584 . . . . 0.0 110.742 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 51' ' ' ILE . 49.8 mt -117.1 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.77 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.18 -179.28 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.145 0.498 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -83.1 138.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.075 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.96 3.14 70.68 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.91 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.07 173.63 12.39 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.23 0.538 . . . . 0.0 110.759 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.77 143.41 50.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.34 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 94' ' ' LYS . 34.8 m -130.96 167.29 26.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.177 0.513 . . . . 0.0 111.765 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 m -110.26 126.27 54.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.256 173.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.571 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -79.78 113.09 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 25.3 mmtp -95.53 -46.34 6.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.959 -176.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.83 173.89 14.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.77 -174.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -117.76 132.76 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.576 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.49 104.59 6.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.52 -121.32 9.75 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.54 10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.202 0.525 . . . . 0.0 110.215 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -113.84 151.6 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.389 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -89.52 143.1 27.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.166 0.508 . . . . 0.0 110.443 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -97.37 102.9 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 82' ' ' VAL . 26.8 m -122.25 165.4 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.05 146.78 37.61 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.379 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 80' ' ' VAL . 27.5 ttpt -67.99 141.72 56.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.57 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.646 -177.544 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 85' ' ' ILE . 50.3 mm -69.17 118.42 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.373 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.51 6.39 56.49 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.284 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 43' ' ' ARG . 9.6 mmp_? -105.67 158.61 16.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.055 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -87.71 155.98 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.908 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.19 162.16 29.14 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 9.9 p -112.53 143.65 21.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.6 t -87.51 116.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.064 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.4 mmt -100.61 -24.63 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.1 tp10 -130.67 133.81 46.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 130.7 43.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.937 0.773 . . . . 0.0 112.055 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 55.9 mt -104.67 111.72 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.354 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 p -109.98 162.63 19.63 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.062 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.01 -20.96 56.16 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.828 2.352 . . . . 0.0 112.119 175.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -94.35 -60.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -113.72 144.27 43.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.442 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 44.3 m -74.86 174.23 9.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.5 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -131.85 -157.57 8.74 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.9 mt -129.58 132.88 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.465 0.174 . . . . 0.0 110.549 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.91 147.59 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.044 0.45 . . . . 0.0 110.706 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' GLU . 86.7 tttt -112.5 119.59 38.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.865 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.25 87.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 44.95 72.9 0.18 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.789 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.84 -47.99 1.65 Allowed Glycine 0 C--N 1.318 -0.428 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.936 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 25.1 mm-40 -78.75 134.17 37.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.668 0.234 . . . . 0.0 110.693 -174.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -118.65 112.0 19.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.11 157.25 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.752 -175.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.544 ' HB3' ' HG2' ' A' ' 89' ' ' LYS . 5.6 mpt_? -73.85 135.3 43.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -137.31 140.27 41.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.334 0.588 . . . . 0.0 112.072 -175.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.8 m -115.4 164.29 14.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.783 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.3 t -160.55 162.37 32.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 4.71 58.16 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 166.56 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.2 t -90.11 114.71 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HG11 ' A' ' 80' ' ' VAL . 49.7 mt -120.11 122.81 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.007 0.432 . . . . 0.0 110.983 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.9 177.41 6.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.562 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.39 133.97 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.923 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.92 -4.51 61.14 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.127 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.22 171.66 14.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.197 0.522 . . . . 0.0 111.8 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -122.07 135.17 54.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.239 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD13 ' A' ' 74' ' ' LEU . 27.8 m -134.71 -176.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -138.46 141.76 39.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 92' ' ' VAL . 26.2 t -85.14 114.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.107 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -105.12 -28.87 10.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.37 175.68 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.45 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.708 HG13 HD11 ' A' ' 41' ' ' ILE . 46.8 mt -128.91 139.13 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.066 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.17 98.88 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.05 0.453 . . . . 0.0 110.297 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.9 -119.3 7.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.043 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.48 1.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.589 0.709 . . . . 0.0 109.971 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.544 ' HG2' ' HB3' ' A' ' 67' ' ' ARG . 33.4 mtmm -112.52 157.42 21.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.924 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -101.04 150.8 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.741 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 58.6 t -101.14 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 82' ' ' VAL . 32.9 m -109.56 161.72 7.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -145.43 169.35 18.5 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.37 124.74 23.99 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.437 0.637 . . . . 0.0 110.196 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.2 tp . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.704 -179.456 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mtp . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.933 0.397 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.5 -90.59 0.17 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m 70.0 123.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.524 0.678 . . . . 0.0 112.107 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.1 t -144.02 122.8 12.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.062 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -94.7 13.82 23.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -76.08 108.39 8.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.162 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -120.67 100.47 7.13 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.32 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -123.07 -15.05 7.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.184 0.516 . . . . 0.0 109.655 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -85.36 153.35 22.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.203 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -102.64 155.63 18.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.995 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -82.69 172.99 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.451 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 m 70.81 177.29 0.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.655 0.597 . . . . 0.0 110.729 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.19 16.17 61.26 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.211 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.91 108.0 9.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.297 -0.451 . . . . 0.0 110.276 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -123.65 137.35 54.74 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -161.06 111.9 1.76 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.58 103.72 7.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.958 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -99.14 154.38 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.781 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 62.45 100.52 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.823 0.702 . . . . 0.0 111.674 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -62.46 -55.43 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.358 0.599 . . . . 0.0 110.476 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.56 114.3 1.6 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.33 172.53 18.33 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.3 mtp 63.87 29.18 14.65 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.769 0.668 . . . . 0.0 110.751 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.9 -178.14 4.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.335 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.61 127.61 34.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.6 0.238 . . . . 0.0 110.59 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -67.14 114.79 6.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.061 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.2 mt -101.39 103.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.752 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.1 m 73.08 -60.02 0.55 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.744 0.652 . . . . 0.0 111.969 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.85 90.28 0.68 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.395 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 61.14 85.35 0.18 Allowed Pre-proline 0 C--N 1.331 -0.226 0 C-N-CA 122.694 0.398 . . . . 0.0 111.289 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.62 76.56 2.35 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.372 2.048 . . . . 0.0 110.75 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -97.89 -165.06 1.2 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.66 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -91.09 167.14 12.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.763 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 66.35 24.98 10.47 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.934 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.81 131.88 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.189 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 t -56.49 126.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.399 0.618 . . . . 0.0 110.989 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 15.2 m -94.13 124.97 38.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.191 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -81.84 -8.32 59.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.273 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HG2' ' HB3' ' A' ' 37' ' ' SER . 8.3 ptp180 -67.14 -15.9 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.981 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 37' ' ' SER . 3.1 pp -97.48 0.3 47.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.96 0.409 . . . . 0.0 111.251 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mm -82.05 121.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.419 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.12 36.93 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.72 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -113.99 174.06 6.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.961 0.41 . . . . 0.0 111.32 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.0 145.66 30.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.417 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 165.74 24.61 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.0 p -115.47 143.66 24.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 120.839 0.352 . . . . 0.0 110.238 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.09 120.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.3 mmt -103.05 -29.13 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -128.22 140.22 52.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.43 130.81 40.77 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.615 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.551 HG12 ' HA3' ' A' ' 57' ' ' GLY . 75.5 mt -105.02 130.76 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.555 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 53.6 p -127.9 165.05 32.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 43.2 Cg_endo -77.28 -14.2 16.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.252 1.968 . . . . 0.0 111.66 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.12 -33.76 14.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -143.41 124.82 14.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.979 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 m -65.02 152.57 43.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.368 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.551 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -106.65 -162.58 22.35 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.8 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 85.9 mt -122.57 123.03 40.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.96 148.16 22.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.18 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -101.59 101.83 12.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.02 0.438 . . . . 0.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.18 116.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.397 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 65.57 -84.14 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.942 0.776 . . . . 0.0 109.678 -173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.78 5.2 1.5 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.017 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 24.6 mm-40 -106.76 142.47 36.34 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 -176.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -92.56 115.13 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.489 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 95.2 m95 -114.97 151.41 34.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.71 131.74 40.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 170.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.0 140.08 47.58 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.73 159.74 23.12 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -157.62 168.05 28.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.47 -11.43 66.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.866 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.62 167.87 11.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.42 119.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 94' ' ' LYS . 46.2 mt -110.44 132.82 53.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.328 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -95.27 174.88 6.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.95 0.405 . . . . 0.0 110.127 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.46 141.21 15.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.85 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.55 66.12 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.166 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 69.6 mm-40 -76.67 167.21 22.24 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.386 0.613 . . . . 0.0 111.685 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -115.97 128.07 55.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.235 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 94' ' ' LYS . 31.6 m -124.47 157.08 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.905 0.383 . . . . 0.0 111.21 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -107.17 127.44 53.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.841 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 31.6 t -82.27 110.0 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.1 -41.91 12.02 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.44 177.88 10.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.56 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 87' ' ' GLY . 21.6 mt -120.16 122.4 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.34 5.91 49.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.155 0.502 . . . . 0.0 111.066 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 142.08 -107.41 0.49 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.542 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.6 m -95.01 1.03 10.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 109.644 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -120.73 158.63 27.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.821 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.24 147.97 28.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.171 0.51 . . . . 0.0 110.401 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -97.26 107.58 20.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.043 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.8 m -125.63 153.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.94 155.03 50.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HB2' HD22 ' A' ' 74' ' ' LEU . 15.8 ttpp -83.79 141.33 31.47 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 -170.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mp -58.83 146.68 36.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.456 172.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.92 137.0 38.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.016 0.436 . . . . 0.0 111.227 -175.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.07 179.72 6.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.773 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.09 124.68 18.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.116 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 88.42 6.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.658 0.742 . . . . 0.0 111.573 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.3 73.81 2.6 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.668 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.344 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.36 159.63 28.1 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.872 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m -61.03 118.27 6.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 111.233 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -85.61 82.69 8.14 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -79.85 -27.56 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.188 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -79.68 89.24 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.821 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -154.0 147.35 24.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -134.96 166.68 22.46 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -93.8 95.8 9.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.055 0.455 . . . . 0.0 110.583 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -86.17 111.99 20.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 m -130.04 32.4 4.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.663 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -81.26 -19.39 43.18 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.544 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.67 -171.92 32.29 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.296 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -131.09 103.09 6.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 0.0 110.477 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 106.4 4.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -136.01 32.19 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.639 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.54 63.94 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 0.0 111.674 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -84.68 101.25 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -100.2 126.3 46.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 -171.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -70.8 130.38 41.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.59 111.58 3.73 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.779 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -90.61 108.75 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -86.75 176.43 7.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.17 86.73 1.4 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.03 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -90.51 43.83 1.17 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.934 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.69 80.41 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.472 0.653 . . . . 0.0 110.578 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.06 83.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.06 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -130.8 12.76 5.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.282 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.99 -91.31 1.37 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.48 159.18 42.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.85 87.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.173 2.582 . . . . 0.0 113.545 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.3 m -116.57 0.57 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.403 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.86 -167.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.8 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -79.83 122.28 26.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.932 0.396 . . . . 0.0 110.536 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.3 33.39 4.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.911 -176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -80.87 10.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 122.147 0.975 . . . . 0.0 110.316 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 39' ' ' ARG . 1.1 m -61.72 -178.95 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.653 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.88 24.74 0.09 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.625 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' SER . 20.2 ptp180 -87.29 -10.41 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.812 0.339 . . . . 0.0 111.054 -175.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -96.08 -16.65 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.376 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.17 120.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.949 -172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.72 68.28 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.207 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -111.68 158.7 18.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.969 0.385 . . . . 0.0 110.756 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -92.07 148.08 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.65 174.89 22.8 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.99 145.02 22.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.769 0.284 . . . . 0.0 110.525 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.22 121.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.595 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.2 mtp -101.18 -30.96 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.032 0.444 . . . . 0.0 110.582 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 27.6 tt0 -131.33 140.99 49.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.327 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.25 123.61 13.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.458 0.647 . . . . 0.0 112.509 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 73' ' ' VAL . 79.1 mt -92.83 124.9 45.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.78 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 19.2 p -105.99 165.82 12.37 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.278 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 38.2 Cg_endo -80.42 -6.2 13.62 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.161 1.907 . . . . 0.0 110.899 174.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -92.94 -55.68 3.26 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.861 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -119.4 -169.17 1.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -173.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -100.65 151.19 21.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.225 0.536 . . . . 0.0 111.072 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -111.16 179.03 19.82 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 173.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 86.9 mt -111.58 119.73 39.7 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.304 0.552 . . . . 0.0 111.103 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' THR . 29.0 m -114.52 160.38 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.118 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -123.94 121.28 34.89 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.0 t -123.44 119.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.705 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 67.67 -64.88 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.854 0.721 . . . . 0.0 111.397 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.43 -24.74 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.84 151.67 19.19 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 117.199 0.5 . . . . 0.0 110.304 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 9.2 t -100.63 127.79 46.9 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.795 0.807 . . . . 0.0 109.766 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -118.77 163.31 17.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.069 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -86.38 140.7 29.78 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.63 140.17 46.93 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.107 0.48 . . . . 0.0 111.943 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 p -124.5 144.44 50.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.076 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -151.22 -172.94 4.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.07 -1.57 33.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.018 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.39 166.23 19.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 61.9 t -87.67 99.1 8.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.076 0.465 . . . . 0.0 110.029 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.1 mt -93.05 114.99 27.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.422 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -94.3 179.41 5.31 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 -171.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.07 129.79 34.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.845 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.37 -8.56 38.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.39 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -84.92 175.89 8.81 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -126.75 143.96 51.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.976 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.4 m -124.08 158.99 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.459 -177.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.538 ' HB2' HD23 ' A' ' 95' ' ' LEU . 18.1 t -119.66 127.72 53.16 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.91 114.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.437 . . . . 0.0 111.185 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -81.21 -48.66 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.037 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.99 177.2 9.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.572 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -108.31 134.23 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.797 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.92 82.56 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.62 -113.44 4.23 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.042 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.44 -1.52 10.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.93 0.872 . . . . 0.0 109.319 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -109.05 162.53 14.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.311 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.4 mt -116.9 147.0 42.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.79 108.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 27.7 m -119.87 148.86 22.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.345 0.593 . . . . 0.0 112.36 -171.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -117.31 166.3 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -82.4 126.79 32.59 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.7 OUTLIER -97.78 140.6 31.91 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' N ' HD13 ' A' ' 95' ' ' LEU . 8.3 tp10 -77.47 143.58 38.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.135 -177.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.6 93.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.7 118.66 26.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.769 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -98.68 144.93 27.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.61 -174.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.45 151.66 22.07 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.047 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.624 179.129 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.0 115.33 7.15 Favored Glycine 0 N--CA 1.449 -0.468 0 O-C-N 123.497 0.498 . . . . 0.0 112.676 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -93.38 88.36 5.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -82.88 96.01 8.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.699 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 162.99 28.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.143 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -85.09 -177.01 6.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.937 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -72.33 116.66 13.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.31 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -85.18 118.16 24.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.031 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -103.16 161.76 13.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.198 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.43 104.73 12.58 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 m -53.94 112.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.355 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -87.3 86.97 7.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.697 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.77 96.77 0.38 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 14' ' ' ARG . 64.0 mtt180 -92.1 93.8 8.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.713 0.292 . . . . 0.0 111.08 -174.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 103.56 8.36 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -151.55 113.26 4.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.463 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt 67.71 63.76 0.4 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 124.096 0.872 . . . . 0.0 110.307 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.64 170.71 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.541 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -92.56 137.14 32.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -92.38 -40.35 10.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.32 -166.62 39.66 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.032 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.37 91.53 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.255 0.55 . . . . 0.0 110.382 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -76.85 95.34 4.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.744 -172.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.19 8.38 43.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.838 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.56 159.13 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.687 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -104.38 18.14 22.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 110.448 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.07 124.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.404 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -77.33 102.67 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.264 0.554 . . . . 0.0 111.154 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.5 -175.49 41.23 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 pt-20 -148.07 145.21 20.19 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.963 0.381 . . . . 0.0 111.021 -177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 16.6 Cg_exo -67.51 134.05 31.91 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.838 2.358 . . . . 0.0 112.028 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.3 m -83.68 -35.43 24.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.257 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt 65.1 176.25 0.2 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.431 174.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -85.78 93.13 8.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.477 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.67 104.24 16.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.195 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.69 116.89 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.821 0.343 . . . . 0.0 110.135 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 m -141.39 103.96 4.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.544 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.5 t70 45.87 73.63 0.16 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.547 175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -143.56 -19.51 0.61 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 85' ' ' ILE . 97.3 mt -96.78 -1.4 46.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 84' ' ' ALA . 48.1 mm -69.17 115.75 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.678 -176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -4.22 55.72 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.492 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' HH11 ' A' ' 43' ' ' ARG . 13.6 mmt180 -75.15 156.26 36.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.234 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 30.5 mtpt -96.31 152.27 18.74 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.25 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.18 170.5 27.3 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.6 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -122.84 144.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 59' ' ' VAL . 51.8 t -84.69 112.98 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.909 0.385 . . . . 0.0 111.094 -177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.4 mmm -96.19 -34.14 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.472 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -122.98 132.99 54.38 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.08 134.23 56.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.643 0.589 . . . . 0.0 112.3 -171.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.532 HG12 ' HA3' ' A' ' 57' ' ' GLY . 70.4 mt -111.49 138.27 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.927 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -126.5 165.85 25.57 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.78 1.98 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.789 2.326 . . . . 0.0 112.775 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -130.86 -51.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -99.21 132.08 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.324 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 m -74.33 164.87 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -135.15 -162.38 9.72 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.041 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.6 mt -130.05 131.36 45.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.684 0.278 . . . . 0.0 110.56 -176.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 47' ' ' VAL . 34.7 m -125.63 154.84 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.832 176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 28.5 ttpp -106.01 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.75 122.73 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.078 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.27 -78.36 0.05 OUTLIER 'General case' 0 C--O 1.234 0.279 0 O-C-N 124.026 0.829 . . . . 0.0 111.23 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.8 -3.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.067 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.01 154.67 45.36 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 117.041 0.42 . . . . 0.0 110.86 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 10.5 t -97.85 135.22 39.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.09 0.471 . . . . 0.0 109.833 174.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -128.24 164.68 22.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.916 -176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.529 ' HA ' HD23 ' A' ' 58' ' ' LEU . 4.0 mpt_? -78.08 138.38 38.73 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.82 144.11 50.68 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.698 -174.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 149.28 48.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.005 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.9 m -155.85 148.25 23.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.016 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.28 7.92 76.4 Favored Glycine 0 CA--C 1.516 0.134 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.716 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.4 m -131.38 169.14 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 72' ' ' THR . 6.8 p -87.35 126.1 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.793 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 94' ' ' LYS . 66.2 mt -125.88 117.74 23.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.785 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -88.93 177.03 6.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.168 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.42 128.94 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.32 -10.6 39.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.257 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.84 171.68 8.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.284 0.564 . . . . 0.0 111.653 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -120.6 133.95 55.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.3 m -122.71 156.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.908 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.48 ' HB2' HD23 ' A' ' 95' ' ' LEU . 32.6 t -115.75 130.28 56.79 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HA ' HG12 ' A' ' 92' ' ' VAL . 45.9 t -69.5 104.86 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.263 0.554 . . . . 0.0 110.113 -178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -79.04 -42.26 26.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.955 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -162.68 171.91 16.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.683 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.49 HD11 ' HB2' ' A' ' 40' ' ' LEU . 56.2 mt -117.71 132.16 68.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -132.68 102.62 5.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.977 0.418 . . . . 0.0 111.043 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.55 -115.64 7.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.835 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.1 10.78 9.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.775 0.798 . . . . 0.0 110.144 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -117.07 162.4 17.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.256 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.1 mt -110.14 144.91 38.08 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.051 0.453 . . . . 0.0 109.865 173.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.7 t -102.47 109.81 27.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 82' ' ' VAL . 30.6 m -122.09 153.92 26.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.055 0.455 . . . . 0.0 111.389 -173.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -119.19 162.66 18.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.712 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 74' ' ' LEU . 54.8 tttp -82.33 130.94 35.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.416 0.627 . . . . 0.0 110.712 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.2 OUTLIER -99.71 155.01 17.85 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.699 173.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -89.62 121.14 31.53 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 3.1 pm0 -55.9 110.88 0.8 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.95 0.881 . . . . 0.0 110.713 -176.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.69 ' NE2' ' H ' ' A' ' 98' ' ' GLN . 0.5 OUTLIER -81.61 76.29 8.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.218 -173.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -82.23 72.58 9.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.849 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.04 -77.28 0.62 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.891 176.26 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.19 100.55 0.43 Allowed Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -108.02 134.34 51.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.649 0.262 . . . . 0.0 111.072 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.7 m -121.93 100.86 7.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.459 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -137.44 135.5 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -119.41 151.52 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.867 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -121.36 95.47 4.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.401 0.62 . . . . 0.0 110.271 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -130.6 102.17 6.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.599 -175.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -138.34 114.76 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.197 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -94.12 106.6 18.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -122.01 170.44 9.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.496 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 t -82.19 146.77 29.36 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.05 -179.85 42.8 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.197 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 14' ' ' ARG . 10.6 mmt180 -99.67 153.16 19.31 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -81.65 160.89 23.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.684 0.278 . . . . 0.0 110.636 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -72.24 118.15 14.76 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.42 146.78 23.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.138 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -94.37 125.56 39.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.167 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -130.7 124.71 32.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.991 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.26 111.17 22.54 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.18 158.22 53.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.556 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -131.37 168.28 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.717 0.294 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.1 mmm -82.02 133.85 35.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.25 131.1 36.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.945 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.3 88.34 3.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 26' ' ' ARG . 1.5 tpt180 -83.67 81.95 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -87.39 132.45 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.162 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 p -57.23 109.82 0.73 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.988 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.55 -14.16 1.06 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.558 -176.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE2' ' HA ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -82.64 156.27 68.12 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.626 0.25 . . . . 0.0 110.555 177.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 33.3 Cg_exo -61.96 -7.32 9.41 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.648 2.899 . . . . 0.0 114.239 -178.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.429 ' HA ' ' OE2' ' A' ' 30' ' ' GLU . 42.4 m 60.9 58.97 2.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.194 0.521 . . . . 0.0 110.978 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -80.76 169.52 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.569 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -56.96 126.42 27.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.725 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.26 121.11 19.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.32 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.5 117.21 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 t -63.98 136.17 57.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.388 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.72 -5.53 43.77 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -74.06 -4.23 34.27 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.161 0.505 . . . . 0.0 109.853 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -93.47 -10.12 36.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.431 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.1 mm -69.26 122.88 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.02 -1.82 71.1 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.928 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -95.32 165.81 12.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.928 0.394 . . . . 0.0 111.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -91.93 155.86 17.86 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.994 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.1 167.15 28.41 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.6 143.98 22.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 117.291 0.545 . . . . 0.0 110.489 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.9 t -85.34 113.17 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.428 . . . . 0.0 111.01 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.3 mmm -91.22 -34.5 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.7 tp10 -132.06 146.77 52.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.38 135.75 57.75 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.546 0.529 . . . . 0.0 111.237 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 65.9 mt -114.65 132.48 63.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -176.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -129.68 162.84 50.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.908 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.46 -42.54 64.8 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.767 2.311 . . . . 0.0 112.496 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -84.39 -46.62 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -108.24 104.18 13.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.459 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.6 m -67.17 152.55 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -157.08 12.59 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.284 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 91.0 mt -124.85 133.27 53.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 m -129.1 150.46 34.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.963 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -110.08 118.21 35.81 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.89 110.01 29.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 64.71 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.894 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.43 -6.94 1.53 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.935 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.69 139.81 39.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 120.975 0.417 . . . . 0.0 110.57 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.3 m -97.95 123.19 41.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.1 165.8 16.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.773 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -90.34 152.15 21.15 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.0 140.91 25.9 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.835 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -119.76 164.5 15.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.252 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -166.1 170.4 13.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.01 -14.59 51.5 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.5 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.81 167.45 9.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.1 t -91.58 113.84 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.513 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 82.9 mt -102.04 131.42 48.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -99.87 170.99 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.418 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.33 131.84 32.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.94 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.54 -13.3 43.01 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.19 170.47 16.48 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.427 0.632 . . . . 0.0 111.666 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -117.64 141.87 47.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.554 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 22.7 m -124.28 160.4 28.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.012 0.434 . . . . 0.0 111.321 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -111.55 127.66 55.79 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.339 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -74.18 111.85 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -84.97 -51.44 6.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.079 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.19 168.62 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.449 . . . . 0.0 111.405 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 87' ' ' GLY . 12.5 mm -109.54 125.94 66.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.2 6.49 47.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.27 0.557 . . . . 0.0 110.678 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 122.13 -102.47 0.8 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.853 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.597 HG13 ' HG3' ' A' ' 89' ' ' LYS . 11.6 p -80.23 -15.79 12.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.204 0.526 . . . . 0.0 111.26 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HG13 ' A' ' 88' ' ' VAL . 34.3 mtmm -124.63 178.19 5.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.057 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.7 mt -120.54 150.38 40.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.706 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -102.58 109.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.2 m -125.15 159.62 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.178 0.514 . . . . 0.0 111.359 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -131.67 162.67 29.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.128 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -70.83 131.19 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.364 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.2 134.61 53.07 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -84.12 94.63 8.4 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.023 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.19 93.18 7.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 166.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -94.66 159.83 14.9 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.36 -172.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 37.9 mtmt 68.58 -163.54 0.19 Allowed 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.897 0.748 . . . . 0.0 110.411 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.62 -171.76 41.42 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 C--O 1.252 1.198 0 CA-C-O 119.084 -0.484 . . . . 0.0 110.887 179.567 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttp . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.003 0.43 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.78 0.83 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.326 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -68.7 126.28 29.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.307 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.1 p -81.68 113.89 19.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.319 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -113.17 98.15 6.95 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -110.62 136.61 49.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -139.94 150.99 45.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.665 0.269 . . . . 0.0 110.643 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -113.25 107.41 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -138.87 135.1 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -103.13 136.3 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.104 0.478 . . . . 0.0 111.198 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 p -114.0 98.44 6.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.635 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -130.19 148.27 52.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.876 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.14 148.77 4.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.244 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -135.15 150.67 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.4 125.8 51.45 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 169.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -101.24 146.1 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.044 0.449 . . . . 0.0 111.055 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -148.5 161.42 41.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.72 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -138.55 149.86 45.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.981 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.51 -65.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.046 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 60.16 93.78 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.826 0.704 . . . . 0.0 110.742 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.61 165.57 12.06 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.682 -0.77 . . . . 0.0 113.015 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 71.5 169.47 0.32 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.488 0.715 . . . . 0.0 110.324 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 ttt -77.35 82.35 3.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.01 134.02 17.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.013 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.85 -166.75 0.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.732 0.645 . . . . 0.0 111.229 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER 64.09 97.76 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.203 0.601 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 48.4 pt -74.82 -175.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.765 HG22 ' H ' ' A' ' 29' ' ' GLY . 1.5 m 70.39 -166.7 0.16 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -176.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.765 ' H ' HG22 ' A' ' 28' ' ' THR . . . -66.78 158.92 49.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.426 -0.416 . . . . 0.0 113.554 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -76.24 160.31 78.21 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.345 . . . . 0.0 111.076 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.84 118.1 4.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.326 2.017 . . . . 0.0 110.729 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.2 m -105.22 157.94 16.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -92.46 -172.79 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.952 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -76.47 95.32 3.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.9 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.4 120.7 24.19 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG12 HD13 ' A' ' 85' ' ' ILE . 7.8 t -57.71 115.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.318 0.58 . . . . 0.0 111.12 -172.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 m -100.67 171.8 7.48 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.152 -177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.1 18.21 1.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.839 -176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.14 -20.54 64.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.938 0.399 . . . . 0.0 111.025 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.13 -11.68 46.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 HD11 HG13 ' A' ' 85' ' ' ILE . 50.2 mm -82.11 128.36 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.004 -174.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.64 5.74 66.48 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.581 177.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -109.09 167.56 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.212 0.529 . . . . 0.0 111.614 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.71 ' HE2' ' HG ' ' A' ' 95' ' ' LEU . 40.9 ttmt -91.2 143.88 26.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.304 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.0 172.74 19.58 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 p -124.17 142.93 39.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.3 t -87.32 111.15 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.75 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.551 ' HG3' ' HB2' ' A' ' 60' ' ' LYS . 26.9 mmt -91.57 -37.79 12.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 40.9 tt0 -120.43 133.21 55.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.086 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.43 33.7 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.884 0.74 . . . . 0.0 111.691 -174.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 59.0 mt -109.04 137.46 40.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.941 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -135.97 165.22 37.45 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.698 0.285 . . . . 0.0 110.642 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.17 -10.47 27.39 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.949 2.432 . . . . 0.0 111.773 172.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -102.84 -51.26 3.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.096 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -122.62 135.66 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.568 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -74.04 157.32 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.005 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.55 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.94 -156.97 10.1 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ARG . 93.5 mt -132.16 138.76 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.09 143.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.665 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HB2' ' HG3' ' A' ' 48' ' ' MET . 34.6 tttp -108.76 122.38 47.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.962 0.41 . . . . 0.0 110.183 -175.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.59 91.58 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.552 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 50.25 67.61 0.89 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.913 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.33 2.52 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.214 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.08 132.2 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m -104.85 113.51 27.14 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.552 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -107.23 164.49 12.13 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.078 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.797 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . 64.9 mtt180 -82.14 160.53 23.09 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.676 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.17 140.76 22.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.996 0.427 . . . . 0.0 110.521 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -133.49 162.17 32.6 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.419 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 t -160.76 168.12 25.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.44 13.1 67.43 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 172.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.59 167.37 18.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.84 129.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 80' ' ' VAL . 65.9 mt -121.75 125.57 46.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.182 -176.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 171.77 9.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.765 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.19 125.6 34.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.364 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.19 0.33 54.33 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.308 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.0 164.56 26.43 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.333 0.587 . . . . 0.0 111.784 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -111.94 121.51 45.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.258 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 74' ' ' LEU . 27.3 m -123.97 152.44 29.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.856 -175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 m -100.98 128.31 47.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.408 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.613 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -85.63 115.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.979 0.418 . . . . 0.0 110.636 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.22 -53.63 5.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.266 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.91 170.4 19.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.334 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.498 HD13 HG12 ' A' ' 36' ' ' VAL . 49.9 mt -112.21 138.18 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.915 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.499 ' OE2' ' HE3' ' A' ' 89' ' ' LYS . 36.3 tt0 -134.99 82.86 1.98 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.012 0.434 . . . . 0.0 110.079 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.73 -111.15 3.35 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.583 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.64 -2.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.475 0.655 . . . . 0.0 110.239 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 51.1 pttt -124.86 166.22 16.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.265 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.7 mt -120.01 150.1 41.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.473 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.7 107.54 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 82' ' ' VAL . 33.5 m -126.67 170.69 16.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.256 0.55 . . . . 0.0 112.199 -172.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.21 175.7 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.645 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -79.36 150.75 31.31 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.288 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.71 ' HG ' ' HE2' ' A' ' 44' ' ' LYS . 2.3 mm? -63.37 156.66 25.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.119 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -79.14 145.15 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -143.42 144.75 32.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -116.02 -5.02 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 65.27 -168.34 0.21 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.232 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.898 176.577 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 126.96 92.62 0.81 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -109.8 89.39 3.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.073 0.463 . . . . 0.0 110.96 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -136.46 84.7 2.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -77.58 128.59 34.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -86.83 142.39 28.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.329 0.585 . . . . 0.0 111.54 -171.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -129.76 103.44 6.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.432 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -81.81 132.04 35.27 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -123.79 68.08 1.03 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.628 0.728 . . . . 0.0 109.513 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -150.4 135.73 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.371 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -57.83 116.29 3.37 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.487 0.492 . . . . 0.0 110.968 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -73.08 89.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.947 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 -93.69 1.72 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.923 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 67.02 136.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.598 0.713 . . . . 0.0 111.808 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -75.17 143.48 43.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.586 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.43 159.07 16.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.385 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.7 pt? -110.89 174.68 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.747 176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -158.02 107.96 2.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 t80 69.76 135.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.658 0.742 . . . . 0.0 111.866 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -94.93 106.07 18.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.07 -165.78 22.32 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -140.47 -39.57 0.43 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.168 0.484 . . . . 0.0 110.942 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.3 ttm 69.14 137.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.715 0.634 . . . . 0.0 111.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -128.22 85.4 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 0.0 110.362 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.74 123.28 49.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.146 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -145.41 142.53 29.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -94.04 154.65 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.217 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -93.54 140.42 29.62 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.181 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -141.24 -67.07 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 33' ' ' LYS . 9.1 mp0 -108.21 88.22 4.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 29' ' ' GLY . 43.0 Cg_exo -56.38 -37.41 97.1 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.573 2.182 . . . . 0.0 112.288 -177.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -152.77 91.74 1.58 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.139 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 30' ' ' GLU . 39.3 ttpt -96.87 104.66 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -94.78 107.31 19.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.132 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.52 43.71 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 p -54.57 117.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.808 0.813 . . . . 0.0 110.503 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 m -113.86 137.64 51.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.527 -176.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -74.21 -10.04 59.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.906 -175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -61.06 -30.32 70.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.225 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.46 -9.6 46.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD11 ' A' ' 85' ' ' ILE . 46.5 mm -89.29 133.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.422 -176.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.52 3.15 61.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.508 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -100.1 173.35 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.637 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HE2' HD13 ' A' ' 95' ' ' LEU . 39.4 ttmt -84.84 143.94 28.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.43 165.85 23.09 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.28 144.82 27.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 t -85.92 116.88 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.248 -176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.401 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 79.8 mtp -94.7 -37.95 11.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.13 175.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.2 tp10 -120.72 135.67 55.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.859 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.02 123.41 15.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.765 0.666 . . . . 0.0 112.086 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.438 HG12 ' HA3' ' A' ' 57' ' ' GLY . 74.9 mt -91.81 123.62 44.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 22.8 p -124.7 165.08 27.06 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 62.9 Cg_endo -78.93 -5.51 14.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.052 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -108.02 -34.83 6.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.22 135.68 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 m -70.36 154.79 41.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.291 -174.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.03 -173.57 18.85 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.364 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 6.8 mp -125.36 128.64 48.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.696 0.284 . . . . 0.0 110.56 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 80' ' ' VAL . 20.0 m -115.97 142.69 28.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 22.2 tttp -103.43 114.41 28.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.027 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.09 87.3 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.715 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.97 -70.37 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.937 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.51 -11.31 2.46 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.536 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.27 158.52 15.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.7 m -132.46 117.58 18.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -119.39 165.13 14.72 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.606 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -80.42 150.42 29.79 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.62 140.22 35.02 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.685 -174.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.498 HG21 ' HD2' ' A' ' 89' ' ' LYS . 20.2 p -129.5 139.3 51.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.605 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -152.1 165.9 33.33 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.81 -22.4 49.85 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.288 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -90.91 169.08 11.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.32 129.38 51.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 80' ' ' VAL . 46.7 mt -127.18 120.48 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.316 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.57 -179.98 5.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.627 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.21 138.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.354 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.67 -7.81 71.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.903 177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -77.21 173.4 11.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.27 0.557 . . . . 0.0 111.687 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.07 129.77 55.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.802 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 74' ' ' LEU . 35.8 m -117.94 146.01 23.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.341 0.591 . . . . 0.0 111.316 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -105.15 122.05 45.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.395 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.8 t -79.35 110.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.85 0.357 . . . . 0.0 110.189 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -83.21 -47.54 11.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.397 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -158.12 179.24 9.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.027 0.441 . . . . 0.0 111.774 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 41' ' ' ILE . 37.2 mt -109.47 138.76 35.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.92 79.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.5 -117.26 6.55 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.4 t -94.72 0.95 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.892 0.853 . . . . 0.0 109.687 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HD2' HG21 ' A' ' 69' ' ' THR . 28.3 mtmt -106.84 154.02 21.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.812 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -107.33 141.5 38.59 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -89.54 106.69 17.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.0 m -128.09 161.47 36.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 -172.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -149.42 169.51 20.69 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.215 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HD3' ' HG2' ' A' ' 97' ' ' GLU . 80.4 tttt -68.24 140.79 56.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -84.52 145.42 28.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 35.9 tt0 71.78 24.6 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.892 0.854 . . . . 0.0 109.526 -175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.639 ' HG2' ' HD3' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -91.05 131.24 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.41 176.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 60.31 -169.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.695 0.622 . . . . 0.0 110.845 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -108.06 55.91 0.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.23 -146.6 13.85 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.951 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.618 -176.868 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 123.14 -55.75 0.68 Allowed Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -96.1 50.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 0.0 109.886 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 p -84.27 -72.94 0.44 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.355 -174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.4 m80 61.58 -81.56 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.584 0.552 . . . . 0.0 110.067 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 34.8 t-80 65.37 18.01 11.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.774 0.429 . . . . 0.0 111.802 167.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 82.3 m-70 67.9 146.38 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.058 -175.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -85.96 84.78 7.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.759 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.58 128.02 28.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.21 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -83.27 -1.11 52.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.466 -173.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 m 68.01 16.81 9.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 m -77.25 147.13 36.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.841 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.36 178.81 17.95 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.131 -1.033 . . . . 0.0 113.328 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 16' ' ' ASN . 25.8 mmm180 -95.76 121.81 37.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.307 -0.447 . . . . 0.0 110.549 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.38 -20.25 37.57 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 10.1 t-20 -108.88 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 175.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.87 160.49 32.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.856 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -78.15 128.42 33.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.954 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -94.42 104.02 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.544 0.688 . . . . 0.0 109.86 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -97.67 163.88 12.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.657 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.3 -150.0 43.11 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.826 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 62.4 35.92 14.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.211 0.529 . . . . 0.0 110.34 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.5 157.75 44.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.084 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.96 93.28 3.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.3 145.38 33.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.045 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -128.06 99.4 5.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.297 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt 68.05 103.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.918 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -86.1 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.056 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.72 -15.58 13.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.315 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 143.8 41.38 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.403 -0.398 . . . . 0.0 110.349 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -85.45 90.75 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.527 2.151 . . . . 0.0 111.295 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -119.57 163.56 17.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 -176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.666 ' HG3' ' H ' ' A' ' 34' ' ' LYS . 38.9 tptt 67.35 -167.09 0.2 Allowed 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.695 0.622 . . . . 0.0 109.346 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.666 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 60.7 mttm -83.98 101.44 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.937 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.45 -171.47 1.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.811 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 p -74.14 122.11 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.549 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.9 m -97.1 141.6 30.04 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.669 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.502 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.4 p-10 -76.35 -3.43 36.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -63.67 -29.47 70.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.105 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -87.96 -11.76 46.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 38' ' ' ASP . 35.4 mm -82.68 132.11 32.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.956 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.43 6.71 68.05 Favored Glycine 0 N--CA 1.44 -1.05 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.713 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -99.21 164.13 12.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.75 0.309 . . . . 0.0 110.513 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -94.9 144.66 25.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -137.6 -172.89 12.7 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.17 144.84 35.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 120.756 0.312 . . . . 0.0 110.437 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.3 118.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 3.0 mmt -100.42 -34.24 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 0.0 110.174 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 7.9 tp10 -121.25 137.98 54.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.706 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.51 129.58 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.667 0.604 . . . . 0.0 111.312 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 80.2 mt -103.28 120.06 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.959 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 p -136.92 159.19 71.1 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.68 -29.71 84.13 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.869 2.379 . . . . 0.0 111.563 173.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -72.22 -51.74 19.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.548 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -133.97 130.02 37.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.988 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -70.32 154.65 41.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.137 0.494 . . . . 0.0 111.06 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.66 -164.08 21.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.752 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 81.6 mt -130.29 123.91 31.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.721 0.296 . . . . 0.0 110.58 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.99 140.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -109.01 105.64 15.25 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.324 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 47.3 t -116.56 107.09 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.0 t70 66.36 10.86 7.58 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.35 174.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.33 -21.93 9.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.13 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -87.16 144.63 26.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -114.17 122.81 47.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.93 0.395 . . . . 0.0 110.167 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -125.46 165.34 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.239 -178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -81.44 153.43 26.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.7 142.21 33.33 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.33 0.586 . . . . 0.0 112.441 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 p -134.27 157.98 44.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.591 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 t -162.94 160.89 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.5 -8.04 88.05 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.2 m -116.21 169.71 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' H ' HG22 ' A' ' 72' ' ' THR . 7.5 p -95.83 132.06 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 53.2 mt -123.36 127.43 48.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.32 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.26 178.01 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.33 136.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.947 -174.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -7.96 67.71 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.299 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -78.76 169.64 17.91 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.336 0.589 . . . . 0.0 111.366 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -114.18 135.03 54.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.847 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 18.9 m -125.65 153.22 33.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.016 0.436 . . . . 0.0 111.609 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.573 ' HB3' ' HG3' ' A' ' 93' ' ' GLU . 43.1 t -110.27 124.88 52.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.189 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.558 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.3 t -71.32 105.35 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -92.78 -45.32 8.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -173.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.86 -177.74 6.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.559 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.6 mt -128.26 143.0 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.466 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.82 90.81 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.81 -119.55 6.97 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.27 7.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.622 . . . . 0.0 109.894 175.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -108.12 139.68 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.224 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -95.26 148.24 22.62 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.841 0.353 . . . . 0.0 110.28 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.26 108.6 23.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 175.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.568 ' HB ' ' HB ' ' A' ' 80' ' ' VAL . 23.1 m -116.43 153.9 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.082 0.468 . . . . 0.0 111.569 -172.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.573 ' HG3' ' HB3' ' A' ' 81' ' ' SER . 7.4 pt-20 -117.34 162.93 17.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.868 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -77.43 124.19 27.56 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 96' ' ' GLU . 2.7 tm? -90.14 135.54 33.6 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.758 -178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' N ' HD13 ' A' ' 95' ' ' LEU . 5.5 tp10 -121.75 131.95 54.35 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.079 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.93 127.2 32.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.733 -177.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.16 -34.13 56.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.538 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 99' ' ' LYS . 23.8 ttmm 60.04 72.02 0.54 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.498 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.63 -109.78 0.61 Allowed Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.967 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.125 -179.612 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.79 159.81 30.57 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.593 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -77.17 105.6 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.094 0.473 . . . . 0.0 110.501 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 m -68.78 109.67 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.383 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -127.15 110.52 12.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.57 0.7 . . . . 0.0 111.056 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -157.85 123.96 4.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.667 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -117.81 169.44 9.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -78.45 149.73 33.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.211 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -138.87 139.69 38.19 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -126.1 164.11 21.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.702 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -79.56 104.36 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.102 0.477 . . . . 0.0 110.824 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m -107.62 125.37 51.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.2 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.44 -178.53 45.34 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -145.27 142.54 29.57 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.14 171.04 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.705 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -142.42 174.17 10.87 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -96.76 -158.81 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.596 0.236 . . . . 0.0 110.885 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -83.17 157.74 22.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.36 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.76 103.51 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HG3' ' H ' ' A' ' 22' ' ' HIS . 12.2 pt20 -74.55 -10.28 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.055 -173.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.49 -15.22 13.76 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.947 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' H ' ' HG3' ' A' ' 20' ' ' GLN . 77.6 t60 -70.39 97.99 1.35 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 0.0 110.668 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.5 ttm -162.32 -71.6 0.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.91 -178.32 6.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.217 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.3 22.97 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.553 . . . . 0.0 110.769 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -87.71 101.26 13.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.534 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.614 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -61.68 140.86 18.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.474 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.6 m -135.57 116.41 14.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.61 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.71 141.59 17.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 35.2 tt0 -107.48 142.29 24.83 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 34.4 Cg_exo -61.23 112.8 1.51 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.857 2.371 . . . . 0.0 112.274 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m -146.47 -177.19 5.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -89.82 -167.3 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -49.81 109.05 0.24 Allowed 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.562 0.539 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.86 151.41 30.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.742 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.97 129.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.39 0.614 . . . . 0.0 110.579 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -106.01 145.2 31.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.264 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.09 -2.47 40.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -74.77 -1.93 24.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.964 0.411 . . . . 0.0 111.161 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -91.19 -8.87 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -82.58 123.78 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.304 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.42 6.61 58.56 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.083 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -88.09 158.18 18.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -94.57 144.38 25.64 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.614 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.32 164.84 22.78 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 p -118.17 143.42 29.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 113.37 24.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.859 0.361 . . . . 0.0 110.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mmt -96.66 -34.48 11.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.117 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -124.35 142.73 51.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.444 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.98 122.92 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.805 0.69 . . . . 0.0 111.907 -172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.545 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.0 mt -95.18 119.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.674 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 p -131.67 163.28 50.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.028 0.442 . . . . 0.0 111.421 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.03 -6.64 16.5 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.159 2.572 . . . . 0.0 111.993 171.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.41 -56.2 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.386 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -131.74 138.31 48.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.908 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -66.47 146.71 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.545 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -99.88 -173.13 30.42 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.616 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -121.9 127.01 49.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.838 0.351 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.3 147.45 24.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.621 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -110.44 109.03 19.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.001 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.1 t -88.12 90.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.184 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 69.86 -67.82 0.22 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.728 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.81 11.8 1.91 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.112 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -124.99 144.49 50.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.11 0.455 . . . . 0.0 110.812 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.4 m -99.47 121.2 40.81 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.086 0.47 . . . . 0.0 110.715 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -129.57 164.76 23.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.974 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.523 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.4 mpt_? -84.94 170.73 12.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.26 139.99 19.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.875 0.369 . . . . 0.0 111.296 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -119.52 134.19 55.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.216 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 t -137.46 168.55 19.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 -18.21 42.09 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -115.61 160.64 19.74 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 122.444 0.298 . . . . 0.0 110.292 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.2 121.09 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.439 0.638 . . . . 0.0 110.393 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.515 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 66.2 mt -111.66 122.98 49.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -93.95 176.74 6.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.354 -174.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.34 124.97 30.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.766 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.11 2.74 41.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.504 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -79.62 164.38 23.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.31 0.576 . . . . 0.0 111.922 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -112.44 123.24 49.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.864 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.87 147.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.775 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.9 m -100.11 126.09 46.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.894 173.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 38.3 t -81.13 112.7 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -85.14 -45.93 11.59 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.62 158.47 42.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.512 HG12 HD22 ' A' ' 90' ' ' LEU . 65.2 mt -102.82 132.88 48.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -124.38 79.58 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.52 -115.97 5.26 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.904 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.39 7.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.336 0.589 . . . . 0.0 110.858 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 67' ' ' ARG . 10.5 ptpp? -126.23 154.97 42.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 85' ' ' ILE . 56.6 mt -109.18 149.32 29.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.144 0.497 . . . . 0.0 111.438 -175.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 106.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 34.9 m -126.78 160.04 35.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.981 -172.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.58 161.81 31.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.538 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.11 137.74 45.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.68 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.11 150.77 16.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.106 0.479 . . . . 0.0 110.506 174.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -80.89 128.3 33.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.598 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -94.39 103.57 15.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.502 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -103.93 141.23 36.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.736 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.52 14.51 11.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.301 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.75 -35.39 4.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.894 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.987 177.456 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.723 0.296 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.84 58.29 1.93 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.134 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -69.3 109.04 3.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.312 . . . . 0.0 110.398 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -83.51 137.18 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.223 0.535 . . . . 0.0 110.961 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -117.26 110.36 18.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.945 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -111.95 123.49 50.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.994 0.426 . . . . 0.0 111.535 -177.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -159.8 124.53 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.666 172.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.89 117.69 32.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -100.64 94.32 6.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.867 0.841 . . . . 0.0 110.117 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -95.25 99.6 11.52 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 p -68.67 131.06 44.56 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.922 -174.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.4 m -85.56 125.6 33.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.76 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.55 88.08 0.15 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.76 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 14' ' ' ARG . 13.4 ttp180 -98.02 106.27 18.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.923 0.392 . . . . 0.0 109.98 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 17' ' ' LEU . 10.2 tp10 -144.11 162.65 35.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -68.01 108.3 3.02 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.134 0.271 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 15' ' ' GLU . 6.1 mp -75.5 84.26 2.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.272 0.558 . . . . 0.0 110.212 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -132.66 -1.52 3.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.242 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -86.81 61.42 6.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.298 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -157.17 92.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.58 27.72 7.83 Favored Glycine 0 N--CA 1.454 -0.147 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.549 -171.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -148.84 105.34 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.039 0.447 . . . . 0.0 111.028 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -122.7 116.28 23.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.201 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.51 97.12 2.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.135 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.08 163.15 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.962 0.41 . . . . 0.0 110.862 -178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 26' ' ' ARG . 8.4 ptm180 -122.63 118.03 27.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.413 0.625 . . . . 0.0 109.692 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.9 mp -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.829 -168.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 m -91.04 113.75 26.09 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.411 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.1 155.54 16.15 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.478 -176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -121.44 85.92 43.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.36 98.13 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 111.566 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -102.65 111.66 24.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.34 -175.06 4.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HE3' ' HB2' ' A' ' 34' ' ' LYS . 32.3 ttmt -97.41 115.01 26.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.841 0.353 . . . . 0.0 110.421 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.74 163.28 12.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.033 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.3 115.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.095 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -106.42 143.3 34.74 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.139 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -83.02 0.41 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.856 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -78.82 6.47 8.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.241 0.543 . . . . 0.0 111.094 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 61' ' ' VAL . 85.0 mt -81.98 -15.72 52.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.549 -0.75 . . . . 0.0 108.98 171.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.706 HD11 HG13 ' A' ' 85' ' ' ILE . 46.9 mm -76.21 124.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.126 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.47 0.06 59.61 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.93 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.62 153.65 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -86.72 143.35 27.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.791 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.52 163.08 24.11 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 p -117.31 142.97 28.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-O 120.941 0.4 . . . . 0.0 110.283 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -87.07 110.55 20.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.6 mmt -93.46 -30.39 15.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.023 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 7.1 tp10 -131.48 138.51 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 134.49 56.13 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.879 0.737 . . . . 0.0 111.865 -174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.493 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.1 mt -100.95 115.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.816 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.89 166.6 20.41 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.42 -34.33 54.57 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.845 2.364 . . . . 0.0 112.203 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.36 -44.22 13.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -123.15 126.34 46.84 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 110.602 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.29 151.99 42.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.315 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.493 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -103.6 178.95 25.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.556 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.405 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.9 mt -120.22 125.58 48.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.016 0.436 . . . . 0.0 111.162 -178.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.38 159.27 13.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.07 120.39 27.34 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 40' ' ' LEU . 42.8 t -109.26 103.61 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.917 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 67.24 -74.96 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.93 0.768 . . . . 0.0 111.651 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.75 -1.47 2.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.831 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -111.13 138.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.2 m -98.91 120.63 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.318 0.58 . . . . 0.0 110.056 175.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -117.24 160.58 20.85 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.106 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HD3' HG12 ' A' ' 88' ' ' VAL . 9.0 mpt_? -86.81 161.57 18.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.62 146.15 31.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.919 0.39 . . . . 0.0 111.829 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.401 ' OG1' ' HD3' ' A' ' 89' ' ' LYS . 31.7 p -132.2 142.13 49.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.659 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 t -152.7 160.79 43.14 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.42 74.27 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.327 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.7 p -100.7 144.7 29.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.511 0.196 . . . . 0.0 110.978 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.8 131.24 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.037 0.446 . . . . 0.0 109.87 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.3 mt -122.07 129.47 52.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.182 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.13 164.89 14.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.171 0.51 . . . . 0.0 111.184 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.28 139.78 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.441 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.28 -11.27 61.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.278 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -78.2 172.43 13.57 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.281 0.562 . . . . 0.0 111.721 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.21 138.92 54.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.335 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 27.2 m -130.64 156.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.104 0.478 . . . . 0.0 112.116 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -103.45 121.47 42.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.492 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.6 t -77.02 109.76 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -97.74 -34.89 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.466 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.85 156.63 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.525 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.706 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -111.79 133.11 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -148.52 97.29 2.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.68 -123.14 5.94 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.611 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG12 ' HD3' ' A' ' 67' ' ' ARG . 7.3 t -105.69 2.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.686 0.755 . . . . 0.0 109.521 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HD3' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -123.61 151.23 43.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.324 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG12 ' A' ' 85' ' ' ILE . 56.7 mt -99.57 150.32 22.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.555 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 52.1 t -95.9 107.34 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 172.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.2 m -120.07 160.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.32 0.581 . . . . 0.0 112.069 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -119.87 159.26 24.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.29 140.13 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.13 152.21 17.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.28 111.97 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -174.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 119.68 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.29 116.27 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.451 -173.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -72.46 -27.84 62.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.423 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 144.31 -36.97 1.43 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.353 -0.832 . . . . 0.0 108.887 174.319 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.5 128.44 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -76.04 104.93 6.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.079 0.466 . . . . 0.0 111.177 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -88.38 71.84 8.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.424 0.631 . . . . 0.0 110.292 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -108.2 130.73 55.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.967 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -151.27 105.24 3.18 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.158 0.504 . . . . 0.0 110.573 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -75.35 109.83 9.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -118.89 115.5 24.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.959 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -133.05 88.3 2.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.908 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -91.72 97.69 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.755 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -101.54 110.76 22.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.797 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 p -148.67 96.05 2.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.155 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.18 -42.74 66.05 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 50.8 ttt180 70.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.532 0.733 . . . . 0.0 111.413 172.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 14' ' ' ARG . 45.8 mt-10 -136.18 83.16 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.218 0.532 . . . . 0.0 110.336 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' H ' HD12 ' A' ' 17' ' ' LEU . 4.8 p-10 -135.64 18.91 3.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.89 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 16' ' ' ASN . 5.9 mp -83.69 84.44 7.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.977 -175.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 88.1 t80 71.0 134.34 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.755 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -162.77 -33.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.715 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -97.11 116.91 30.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.77 -90.65 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.91 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 63.16 40.57 8.79 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.052 0.453 . . . . 0.0 110.821 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 65.73 -179.02 0.19 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.064 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.83 -176.03 3.31 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 72.9 110.0 0.07 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.122 0.889 . . . . 0.0 112.265 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -138.98 133.48 31.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.672 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 tt -140.07 110.28 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.425 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.57 169.39 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.654 -174.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.91 172.95 19.26 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.391 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 47.0 mt-10 -114.6 149.14 41.77 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 Cg_exo -69.0 79.35 0.71 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.766 2.311 . . . . 0.0 111.971 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.0 p -72.33 105.53 4.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.958 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -83.82 147.4 27.59 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.576 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' NZ ' ' HB3' ' A' ' 34' ' ' LYS . 4.2 ttpm? 67.48 84.28 0.16 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.537 -176.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.8 158.79 16.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.016 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -102.58 115.92 45.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.992 0.425 . . . . 0.0 110.618 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -93.71 149.33 21.32 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.557 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.62 3.81 10.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -76.58 -9.44 58.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.919 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HA ' ' HG3' ' A' ' 43' ' ' ARG . 89.8 mt -88.49 -11.68 45.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.126 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.75 121.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.66 15.85 48.11 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.206 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 8.2 mmp_? -93.46 159.87 15.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.099 0.476 . . . . 0.0 110.607 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -86.77 143.39 27.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.442 176.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.608 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -140.99 171.91 23.92 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -125.45 143.0 40.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.656 0.265 . . . . 0.0 110.496 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.8 t -87.28 109.75 19.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.8 mtp -95.13 -36.02 11.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.964 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 11.0 tp10 -120.07 134.83 55.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.78 124.9 17.96 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.586 0.554 . . . . 0.0 111.954 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.541 HG12 ' HA3' ' A' ' 57' ' ' GLY . 66.8 mt -101.13 126.23 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.134 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 p -128.69 160.67 61.74 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -56.2 -32.09 86.2 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.756 2.304 . . . . 0.0 111.924 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -84.58 -58.83 2.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.215 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.67 129.75 55.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -173.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -67.53 158.3 32.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.475 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -118.98 -164.09 12.66 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' N ' ' HB3' ' A' ' 49' ' ' GLU . 80.3 mt -127.12 128.63 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.958 0.408 . . . . 0.0 111.242 -176.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.71 155.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -121.07 115.27 22.81 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.908 0.385 . . . . 0.0 110.204 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.19 71.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 65.13 -76.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.457 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.53 -32.26 8.29 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.29 -174.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -117.43 141.79 47.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -99.45 122.56 42.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.326 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -117.41 156.47 27.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.17 141.02 32.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 173.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.9 140.48 46.84 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.148 0.499 . . . . 0.0 111.965 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 p -114.7 144.42 43.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.871 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 m -145.01 158.51 43.79 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.208 0.317 . . . . 0.0 110.582 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 7.52 70.5 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.46 168.39 15.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.21 110.45 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 80' ' ' VAL . 76.0 mt -101.6 125.63 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 110.856 -176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.58 161.07 21.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.853 -175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.1 t -71.22 131.85 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 1.0 61.55 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.297 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.91 164.72 24.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.476 0.655 . . . . 0.0 111.701 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -114.75 124.56 52.08 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.15 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 74' ' ' LEU . 26.8 m -125.62 154.28 34.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.048 0.451 . . . . 0.0 111.894 -175.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m -102.92 130.53 50.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.897 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.0 t -77.4 105.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -90.2 -33.01 16.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.266 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.27 179.23 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.8 mt -125.15 136.19 61.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -133.61 110.36 9.84 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.89 -114.67 4.28 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 88' ' ' VAL . 13.6 t -119.45 8.22 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.882 0.849 . . . . 0.0 108.913 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -110.25 153.48 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.393 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.4 mt -89.22 148.1 23.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.288 0.566 . . . . 0.0 110.768 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.56 100.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.9 m -117.21 157.53 18.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -174.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -146.09 155.65 42.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 40.4 tttp -66.56 142.97 57.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.165 -171.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.714 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 8.0 mp -70.26 -179.9 2.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.839 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 96' ' ' GLU . 37.5 tt0 67.49 35.37 4.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.586 0.707 . . . . 0.0 109.918 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 151.09 36.45 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 64.62 43.04 4.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.42 106.45 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.122 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.57 -117.3 3.56 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -174.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.614 175.083 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 ttp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.64 0.257 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.99 85.35 1.56 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.231 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -65.61 -64.11 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 p 41.0 79.18 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -80.23 80.66 6.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.874 0.369 . . . . 0.0 110.088 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -71.09 110.55 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.864 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -94.8 139.5 31.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.162 0.506 . . . . 0.0 111.138 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -111.87 118.7 36.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.083 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -64.79 108.55 1.77 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.494 0.664 . . . . 0.0 110.561 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -88.78 75.12 8.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -100.25 113.69 26.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.44 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 m -68.32 89.45 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.55 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.72 -72.04 1.14 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 173.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -135.52 31.23 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.593 0.235 . . . . 0.0 110.658 175.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -72.99 89.61 1.44 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.431 0.634 . . . . 0.0 109.914 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -139.36 117.57 11.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.592 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt -113.05 116.62 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -70.92 109.18 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -93.03 103.16 15.49 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.035 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -97.44 110.68 23.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.096 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 97.43 0.12 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.895 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -87.6 148.81 24.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.01 132.09 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.977 0.418 . . . . 0.0 110.738 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.59 163.82 22.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.679 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 128.86 34.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.307 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.645 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 2.3 tpp180 -92.05 119.13 31.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.51 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.433 ' O ' ' HB ' ' A' ' 28' ' ' THR . 2.9 mp -99.2 -63.38 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.354 176.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.645 ' OG1' ' HD2' ' A' ' 26' ' ' ARG . 89.3 m 73.29 131.44 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.396 0.617 . . . . 0.0 111.48 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.94 177.12 19.1 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.645 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.54 153.43 87.64 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.746 0.308 . . . . 0.0 111.006 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -66.01 -4.25 9.86 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.09 2.527 . . . . 0.0 112.792 175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 t -66.08 158.61 28.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.296 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -77.68 -11.35 59.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -103.25 11.46 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.853 0.835 . . . . 0.0 109.941 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.38 159.88 33.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.607 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 p -83.32 111.21 19.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.909 0.862 . . . . 0.0 111.212 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 m -81.91 130.79 35.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.888 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.48 20.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.683 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -79.2 0.32 28.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.021 0.439 . . . . 0.0 110.694 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -85.0 -19.87 31.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.091 0.472 . . . . 0.0 109.886 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 85' ' ' ILE . 50.0 mm -61.69 122.36 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.654 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.88 67.47 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.68 -0.771 . . . . 0.0 113.042 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -101.12 168.08 9.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -102.32 152.97 20.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.63 -170.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.35 172.24 27.8 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.21 143.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.3 t -83.99 108.42 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.458 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mmm -92.23 -35.5 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.361 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 58' ' ' LEU . 10.1 tp10 -122.76 137.35 54.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.42 134.72 56.83 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.553 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 74' ' ' LEU . 65.2 mt -100.56 121.95 51.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.096 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.5 p -122.82 158.15 57.91 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.937 0.399 . . . . 0.0 111.06 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.69 -35.2 86.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.243 2.629 . . . . 0.0 112.814 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.14 -39.92 17.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.265 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -132.85 127.44 34.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 0.0 111.081 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 m -68.93 156.82 37.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.18 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.96 -165.11 21.42 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.068 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 96.1 mt -127.42 128.39 45.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.729 0.3 . . . . 0.0 110.371 -177.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 47' ' ' VAL . 35.1 m -126.46 146.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.267 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.16 124.08 46.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.3 t -131.08 117.53 37.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.419 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.5 t70 74.98 -35.35 0.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.925 0.766 . . . . 0.0 112.096 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.88 -27.89 0.11 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.121 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.93 155.38 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.432 . . . . 0.0 111.016 -177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -104.0 119.77 39.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.858 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -116.6 162.72 17.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 -175.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -80.76 133.85 35.72 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.29 141.22 51.77 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.36 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 161.34 35.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.781 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.0 p -166.42 -174.53 2.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.942 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.03 2.22 61.45 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.448 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 167.64 10.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.722 0.296 . . . . 0.0 110.617 -176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.06 102.64 13.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 51' ' ' ILE . 85.6 mt -99.88 130.77 46.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.37 172.44 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.528 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.4 t -77.19 121.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.222 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.6 -20.86 8.18 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.7 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.11 165.62 23.77 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.239 0.542 . . . . 0.0 111.558 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -115.16 132.68 56.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.353 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 74' ' ' LEU . 29.1 m -126.27 158.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.069 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -120.93 138.3 54.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.858 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.557 ' HA ' HG12 ' A' ' 92' ' ' VAL . 37.4 t -71.59 121.93 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.942 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -95.69 -44.38 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.095 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.09 -178.3 7.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.583 HG13 HD11 ' A' ' 41' ' ' ILE . 44.1 mt -128.47 132.89 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.823 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.35 94.76 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.9 -107.68 2.31 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.196 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.22 4.37 8.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.734 0.778 . . . . 0.0 109.182 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.95 152.82 22.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.194 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -103.27 144.79 30.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.69 111.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.3 m -122.41 157.54 27.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.33 -174.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.15 153.26 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 80' ' ' VAL . 17.0 ttpp -77.51 132.35 38.34 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.66 144.52 55.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.82 172.43 7.67 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.523 -173.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 98' ' ' GLN . 5.0 mp0 -94.25 19.28 9.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.225 -173.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 97' ' ' GLU . 24.7 mt-30 75.63 69.78 0.08 Allowed 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.387 0.675 . . . . 0.0 109.896 -173.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 61.1 -79.73 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.146 -1.388 . . . . 0.0 112.034 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.68 42.89 0.7 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.715 -0.659 . . . . 0.0 110.326 179.7 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.8 71.4 2.88 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' A' ' 101' ' ' SER . 6.0 p -82.04 -170.41 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 0.0 111.607 -176.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.493 ' HB3' ' O ' ' A' ' 8' ' ' HIS . 19.8 m -66.03 80.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.571 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -129.63 0.71 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.488 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -133.93 -73.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 8' ' ' HIS . 25.1 p-80 -109.99 157.17 19.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.232 174.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 4' ' ' SER . 58.2 t-80 70.11 130.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.818 0.699 . . . . 0.0 110.381 -175.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -96.48 135.1 38.83 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.187 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -65.03 142.44 58.42 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -57.68 121.42 10.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.957 -175.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 m -107.85 149.87 27.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.301 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.47 56.03 4.19 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.423 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.716 ' HG3' ' HE1' ' A' ' 18' ' ' TYR . 25.7 mmt180 -131.04 149.98 52.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.675 0.274 . . . . 0.0 110.831 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.36 -58.42 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.808 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -106.71 151.72 24.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.479 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.95 104.88 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.648 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.716 ' HE1' ' HG3' ' A' ' 14' ' ' ARG . 34.2 p90 -85.38 6.17 27.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.873 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -138.7 117.67 12.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.715 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -98.29 97.37 8.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.811 0.339 . . . . 0.0 110.622 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.27 69.77 0.91 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.919 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -114.03 109.57 18.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.696 -0.296 . . . . 0.0 110.315 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -42.62 77.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.146 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 52.24 33.89 13.48 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.699 0.4 . . . . 0.0 111.844 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.75 87.49 7.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -166.97 157.84 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.841 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 27' ' ' ILE . 2.7 pp -78.88 165.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 176.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -78.93 130.95 36.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.664 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -77.35 -154.08 6.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.563 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -110.56 86.36 5.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.308 . . . . 0.0 110.751 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HD3' ' O ' ' A' ' 29' ' ' GLY . 38.4 Cg_endo -92.77 66.89 0.63 Allowed 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.24 2.627 . . . . 0.0 112.613 -177.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.7 m -87.81 -22.29 24.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -115.35 83.09 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.406 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -98.64 114.14 26.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.338 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -154.52 136.92 14.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.242 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.449 ' HA ' ' HH2' ' A' ' 66' ' ' TRP . 7.3 p -138.64 136.87 43.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 m -98.48 -14.18 20.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.889 -175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 41' ' ' ILE . 1.5 m-20 63.28 -41.7 0.2 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -72.95 10.87 0.79 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.94 -0.475 . . . . 0.0 111.716 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' HG11 ' A' ' 61' ' ' VAL . 1.1 pt? -95.22 -11.95 27.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.796 0.331 . . . . 0.0 110.122 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 38' ' ' ASP . 37.2 mm -70.47 113.61 6.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.27 13.98 59.44 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.844 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -109.77 170.9 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 111.257 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.521 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 10.5 mtpm? -87.91 147.84 24.89 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.499 -178.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.46 135.8 6.82 Favored Glycine 0 N--CA 1.441 -1.021 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.112 174.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.2 143.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-O 120.914 0.388 . . . . 0.0 109.995 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -82.98 116.51 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 -177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 86.5 mtp -96.49 -32.29 12.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.268 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 9.6 tp10 -129.69 141.0 50.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.682 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.35 124.15 17.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.821 0.701 . . . . 0.0 112.283 -173.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' HA3' ' A' ' 57' ' ' GLY . 73.1 mt -89.16 116.52 30.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.897 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.476 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 43.7 p -137.97 165.74 31.32 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.082 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 39.1 Cg_endo -81.09 4.35 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.66 2.24 . . . . 0.0 111.416 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -98.48 -41.02 7.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.585 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -149.47 127.95 12.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.691 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -59.68 147.85 36.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 110.415 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.547 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -96.24 175.72 32.28 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.883 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.6 mt -116.75 127.44 54.37 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.93 141.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.632 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 64.5 tttm -98.67 106.87 19.19 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 40' ' ' LEU . 27.8 t -116.0 124.38 72.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.768 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 66.13 -83.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.934 0.771 . . . . 0.0 110.214 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.65 2.49 1.07 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.235 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -112.04 152.6 28.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.993 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -99.9 114.2 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.449 ' HH2' ' HA ' ' A' ' 36' ' ' VAL . 66.4 m95 -108.01 163.97 12.68 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 4.2 mpt_? -91.21 143.48 26.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.41 152.26 46.93 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.245 0.545 . . . . 0.0 112.165 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -144.43 159.7 42.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.415 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 72' ' ' THR . 6.4 t -151.02 8.14 0.54 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.296 0.57 . . . . 0.0 110.64 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.53 1.26 Allowed Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.324 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 73' ' ' VAL . 2.0 m -105.87 171.53 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG22 ' A' ' 72' ' ' THR . 7.9 p -85.87 134.19 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.498 . . . . 0.0 111.294 -176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 93.9 mt -128.54 131.5 48.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.07 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.84 178.88 5.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.04 137.58 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.506 -175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.31 -6.13 63.3 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.161 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.78 164.58 26.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.33 0.586 . . . . 0.0 112.094 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.83 123.21 45.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.698 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.82 160.98 34.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.954 0.407 . . . . 0.0 111.347 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.6 m -112.57 132.05 55.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.269 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 HG12 ' A' ' 92' ' ' VAL . 46.3 t -89.18 108.46 19.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.151 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -96.48 -37.65 10.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.72 170.64 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.817 0.341 . . . . 0.0 111.275 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -125.83 131.81 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.18 94.55 4.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.29 -112.53 3.78 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.916 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.02 1.3 10.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.662 0.744 . . . . 0.0 109.753 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -108.8 153.18 23.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.734 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -100.84 146.07 27.77 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.936 0.398 . . . . 0.0 110.397 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.55 100.49 10.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 82' ' ' VAL . 34.2 m -112.6 156.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.465 -172.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.21 158.1 40.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -73.02 143.06 47.67 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.506 HD21 ' HE2' ' A' ' 44' ' ' LYS . 4.6 mp -53.81 141.59 26.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.836 171.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 60.56 81.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.909 0.755 . . . . 0.0 109.884 -172.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 pm0 -70.43 94.44 0.96 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.827 0.822 . . . . 0.0 110.093 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 99' ' ' LYS . 37.0 tt0 -80.22 -47.15 15.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.632 -176.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HD2' ' HB3' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -80.0 116.7 20.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.478 -176.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.67 124.42 0.73 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.783 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.643 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 49.5 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.019 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.05 -157.91 29.8 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.287 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -148.99 111.31 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -93.02 87.35 5.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.17 0.509 . . . . 0.0 111.818 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -133.78 98.58 4.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.614 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -97.11 124.82 41.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.177 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -138.06 90.91 2.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.253 0.549 . . . . 0.0 110.318 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -144.78 85.3 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.44 104.6 16.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -77.31 114.39 16.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 m -69.75 161.29 30.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.722 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -147.4 80.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.159 0.504 . . . . 0.0 109.741 177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.11 46.18 1.2 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.056 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -100.85 148.73 24.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.594 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.765 ' HG2' ' H ' ' A' ' 16' ' ' ASN . 31.4 tt0 -83.56 -177.39 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.321 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.765 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 7.1 t30 -153.79 114.68 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.311 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.32 144.91 46.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -130.12 145.14 51.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.806 0.336 . . . . 0.0 111.329 -172.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 t80 65.42 -107.99 0.15 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.629 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 52.74 28.31 6.18 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 122.75 0.42 . . . . 0.0 111.81 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.24 135.84 2.04 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.881 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -112.16 19.8 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.246 0.546 . . . . 0.0 110.303 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -125.07 93.99 4.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.345 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.24 145.38 14.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.7 172.03 0.25 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.589 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 61.04 31.08 19.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.515 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -92.88 -19.02 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.534 0.683 . . . . 0.0 109.968 175.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -152.66 122.62 7.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.232 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.96 112.34 0.83 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.28 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -105.04 90.36 3.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -19.84 87.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.912 1 C-N-CA 126.376 4.718 . . . . 0.0 116.245 -168.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -150.67 20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -101.58 156.66 17.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.651 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -139.23 14.46 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.69 0.757 . . . . 0.0 109.41 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.29 155.73 19.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 t -79.6 124.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 m -114.82 157.6 23.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.88 -0.73 14.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.447 0.642 . . . . 0.0 110.179 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -81.93 9.46 8.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.437 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -96.44 -23.2 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 170.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 85' ' ' ILE . 45.3 mm -74.51 129.92 36.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.044 -176.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.64 12.1 75.84 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.834 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 39' ' ' ARG . 84.8 mtp180 -117.23 159.45 22.64 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.723 -0.281 . . . . 0.0 110.365 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -92.58 152.84 19.39 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 121.556 0.693 . . . . 0.0 111.504 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 61' ' ' VAL . . . -142.37 -179.9 19.63 Favored Glycine 0 N--CA 1.436 -1.365 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.558 175.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.88 143.68 34.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' HA ' HG12 ' A' ' 59' ' ' VAL . 26.4 t -84.24 114.4 24.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.962 0.41 . . . . 0.0 110.26 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 89.6 mmm -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.7 142.16 49.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.954 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.37 135.06 45.55 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.578 0.549 . . . . 0.0 111.558 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.523 HG12 ' HA3' ' A' ' 57' ' ' GLY . 67.4 mt -109.49 129.91 63.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.191 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -123.13 160.95 47.51 Favored Pre-proline 0 N--CA 1.447 -0.598 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' SER . 27.6 Cg_exo -60.87 -19.4 61.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.052 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -99.45 -54.0 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.582 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -109.93 135.56 50.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -64.61 154.69 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.225 0.536 . . . . 0.0 111.136 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -113.13 -168.46 17.08 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.271 -1.131 . . . . 0.0 110.271 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -128.2 134.99 49.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 117.305 0.553 . . . . 0.0 110.758 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 47' ' ' VAL . 20.1 m -130.15 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.185 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -104.55 110.3 22.53 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 45' ' ' GLY . 49.0 t -130.6 130.69 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.836 -175.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.6 t70 72.03 -1.72 2.78 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.733 0.646 . . . . 0.0 110.9 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.44 -20.13 11.29 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.825 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -99.53 156.36 17.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.494 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 m -97.46 121.51 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.079 0.466 . . . . 0.0 109.927 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -118.22 163.25 16.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.986 -177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -82.36 148.59 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.32 140.72 45.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.978 0.418 . . . . 0.0 111.514 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.6 p -126.17 135.38 51.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 27.2 m -138.93 160.57 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.396 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.94 -5.4 87.82 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.195 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.98 168.59 18.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.0 p -84.91 125.06 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.561 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.98 141.91 46.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.98 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.63 176.12 5.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.157 0.503 . . . . 0.0 110.981 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.92 138.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.883 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.18 -13.63 64.52 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.207 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.94 166.56 21.9 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.448 0.642 . . . . 0.0 112.035 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.65 127.45 55.28 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.045 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.93 163.1 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -123.82 139.33 54.08 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.033 173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 92' ' ' VAL . 41.0 t -86.24 117.44 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 -176.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.721 ' HE2' ' HB2' ' A' ' 16' ' ' ASN . 94.0 mttt -102.48 -28.49 12.16 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.8 165.04 33.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.759 0.314 . . . . 0.0 111.484 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 41' ' ' ILE . 63.8 mt -117.01 137.16 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.15 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HE3' ' A' ' 89' ' ' LYS . 8.8 tp10 -128.09 45.38 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.813 0.816 . . . . 0.0 109.21 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 87.25 -120.93 5.65 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.791 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.4 m -79.93 -6.67 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.345 0.593 . . . . 0.0 110.097 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HE3' ' HG3' ' A' ' 86' ' ' GLU . 36.7 mtmt -107.03 143.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.313 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -111.44 147.76 34.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.094 0.473 . . . . 0.0 110.257 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 51.7 t -94.31 101.49 12.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 82' ' ' VAL . 28.8 m -125.42 159.08 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.176 -173.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -145.49 165.05 29.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.842 172.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -72.23 135.9 46.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.241 0.543 . . . . 0.0 110.797 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.06 161.51 14.89 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.059 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.81 154.44 40.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 111.328 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' HD2' ' A' ' 99' ' ' LYS . 39.6 tt0 -76.12 122.86 24.91 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.74 112.66 17.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.049 0.452 . . . . 0.0 111.311 -172.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' HD2' ' O ' ' A' ' 97' ' ' GLU . 12.2 mptt -86.96 141.04 28.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.332 175.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.47 178.91 20.65 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.182 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.016 178.599 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.92 75.86 0.6 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.318 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 p -115.19 91.19 3.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 p -134.12 81.68 1.93 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.237 0.541 . . . . 0.0 110.644 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.29 98.76 4.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.293 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -135.41 134.53 39.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.972 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.65 165.43 11.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.468 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -102.37 107.67 18.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -87.41 75.72 9.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.75 0.786 . . . . 0.0 109.41 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -79.85 90.64 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.739 0.78 . . . . 0.0 110.897 -175.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -146.11 114.08 6.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.717 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 t -114.83 91.65 3.69 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.09 140.95 15.32 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.944 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -154.46 126.71 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -106.03 112.31 25.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.45 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -81.95 78.77 8.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.447 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -126.8 153.23 45.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.432 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.1 112.43 24.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.041 0.448 . . . . 0.0 110.149 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -99.48 141.64 32.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.354 -174.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -123.33 -165.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.354 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.97 130.47 7.06 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.144 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -143.94 109.1 5.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.7 mtt -111.85 126.09 54.72 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.03 94.19 4.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.067 0.46 . . . . 0.0 110.855 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.45 107.0 17.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.835 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -78.24 81.48 4.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.923 0.868 . . . . 0.0 110.922 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.86 114.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.822 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -89.49 87.78 7.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.448 0.642 . . . . 0.0 110.663 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.0 72.29 0.29 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.684 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -122.36 149.84 55.92 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 110.262 -0.274 . . . . 0.0 110.262 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.02 -175.57 1.99 Allowed 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.885 2.39 . . . . 0.0 112.332 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 m -68.46 115.11 7.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -81.74 173.08 12.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.218 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -90.17 11.01 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.391 0.615 . . . . 0.0 111.028 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.65 125.37 29.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.908 176.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.9 119.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.779 0.8 . . . . 0.0 111.523 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -77.13 134.06 38.81 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.131 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -74.71 11.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.897 -176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -70.85 -13.71 62.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.194 0.521 . . . . 0.0 110.008 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.59 -21.52 32.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.61 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 HG12 ' A' ' 85' ' ' ILE . 49.9 mm -69.82 119.21 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.529 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.82 55.46 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.605 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.19 175.71 5.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.936 0.398 . . . . 0.0 110.514 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 79' ' ' GLU . 37.2 ttpt -99.07 146.71 25.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.614 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.05 172.7 21.32 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 11.1 p -122.52 143.77 34.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.692 0.282 . . . . 0.0 110.263 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' HA ' HG12 ' A' ' 59' ' ' VAL . 43.2 t -84.33 119.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.7 -33.76 12.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.018 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 29.1 tt0 -131.11 137.23 48.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.57 136.84 31.71 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.753 0.658 . . . . 0.0 112.063 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' HA3' ' A' ' 57' ' ' GLY . 61.9 mt -115.0 132.92 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.232 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 p -132.28 160.94 65.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.419 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -56.97 -24.49 57.53 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.004 2.47 . . . . 0.0 112.35 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.83 -57.65 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -105.15 118.04 35.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.733 0.302 . . . . 0.0 110.354 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -67.45 160.93 26.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.135 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.556 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -129.47 -167.24 12.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.429 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 67.8 mt -118.79 138.47 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 110.987 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 47' ' ' VAL . 17.8 m -129.74 151.53 35.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 4.3 tppt? -98.42 116.82 31.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.4 t -132.72 119.32 37.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.028 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 69.6 8.95 7.01 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.952 0.782 . . . . 0.0 111.026 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.95 -20.79 21.51 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.137 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -98.37 155.74 17.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 0.0 110.518 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -101.2 118.64 37.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -118.34 165.32 14.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 2.1 mpt_? -86.46 146.04 26.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.93 140.12 45.49 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 p -118.86 131.94 56.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.333 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 t -147.48 147.42 30.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.99 37.06 3.29 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.91 162.87 35.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 p -91.15 108.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.473 0.654 . . . . 0.0 110.037 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 80' ' ' VAL . 64.3 mt -107.19 122.27 46.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.407 -176.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -82.85 165.7 19.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.287 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -73.67 133.75 31.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.185 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.44 -11.47 70.18 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.631 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.75 170.68 11.92 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.278 0.561 . . . . 0.0 111.599 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 44' ' ' LYS . 36.0 mt-10 -116.14 128.66 55.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.778 -178.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 74' ' ' LEU . 20.7 m -121.38 149.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.013 0.435 . . . . 0.0 111.737 -176.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 m -95.9 123.06 39.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.007 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.441 ' HA ' HG12 ' A' ' 92' ' ' VAL . 40.9 t -83.75 113.65 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -102.01 -37.51 8.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.47 163.56 39.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 111.485 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.566 HG12 HD11 ' A' ' 41' ' ' ILE . 27.0 mm -106.92 134.32 48.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.236 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -127.69 93.29 3.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.006 0.431 . . . . 0.0 110.319 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.63 -115.67 8.26 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.297 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.94 11.2 6.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 89' ' ' LYS . 29.2 mtmt -121.4 156.84 31.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.278 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 mt -104.64 143.0 33.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.841 0.353 . . . . 0.0 110.074 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.55 105.0 16.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -125.35 154.19 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -174.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.9 165.96 24.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 95' ' ' LEU . 40.5 tttt -69.64 147.02 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.652 0.263 . . . . 0.0 110.694 -176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 95' ' ' LEU . 1.3 mm? -67.92 -178.96 1.07 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.386 170.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 65.47 63.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.671 0.748 . . . . 0.0 109.432 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -79.28 94.37 5.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.61 0.719 . . . . 0.0 109.788 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.11 129.89 39.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.317 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 56.82 63.19 2.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.243 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.07 79.19 1.48 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.256 -174.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.33 119.73 0.96 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.365 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -88.16 158.13 18.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.415 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 47.5 m -72.03 119.11 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 0.0 111.413 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -105.21 -67.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.554 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -93.33 132.58 37.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 4' ' ' SER . 5.8 m170 -137.05 114.8 11.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.045 174.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -74.77 135.2 41.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -119.11 115.11 23.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 0.0 110.178 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -80.05 132.33 35.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.654 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 p -119.34 144.1 47.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.73 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -103.34 112.05 24.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.336 178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.77 -177.45 23.83 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.609 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 68.67 87.18 0.12 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.376 0.67 . . . . 0.0 110.273 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -111.28 161.38 16.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.086 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -153.44 101.46 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.03 6.87 17.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.698 -171.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -107.67 119.54 39.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.972 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -162.57 97.6 0.98 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.238 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -142.57 138.97 31.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.128 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.39 126.54 1.11 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.146 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -160.71 133.2 6.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.7 ttm -167.85 97.97 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.934 0.397 . . . . 0.0 110.143 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.1 107.24 12.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.214 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.54 121.95 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.332 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -111.04 126.48 54.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.162 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.8 mt -91.55 105.44 16.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.051 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -88.91 137.53 32.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.146 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 35.67 0.18 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.358 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.51 153.78 41.13 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.55 168.91 16.92 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 111.688 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -88.2 -63.06 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.73 0.3 . . . . 0.0 111.136 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -107.9 -7.73 16.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.742 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -90.75 -0.28 57.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.454 0.645 . . . . 0.0 110.503 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.65 148.96 26.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.687 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.21 -16.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.536 0.684 . . . . 0.0 109.834 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.6 t 63.84 177.86 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.731 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -126.08 -1.47 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.012 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 39' ' ' ARG . 7.8 mmt85 -81.68 20.7 0.9 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.673 -175.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 61' ' ' VAL . 59.3 mt -101.26 -20.12 15.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.479 175.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 85' ' ' ILE . 50.1 mm -73.25 135.62 27.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.563 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.24 26.42 61.78 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.584 -0.734 . . . . 0.0 113.487 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -125.79 160.3 30.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.952 0.376 . . . . 0.0 110.483 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -95.64 144.97 25.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.01 -179.95 18.35 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 60' ' ' LYS . 10.3 p -120.99 144.29 30.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.43 116.8 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.9 mmm -98.43 -24.0 15.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.254 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.61 149.66 41.0 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.91 123.23 13.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.85 0.719 . . . . 0.0 111.485 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.554 HG12 ' HA3' ' A' ' 57' ' ' GLY . 69.7 mt -105.48 119.29 54.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.992 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.47 166.37 14.79 Favored Pre-proline 0 N--CA 1.444 -0.759 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 22.6 Cg_exo -63.2 -35.09 65.8 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.619 2.213 . . . . 0.0 111.856 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' OE1' ' HD2' ' A' ' 53' ' ' PRO . 20.3 mp0 -83.03 -45.48 14.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.429 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -120.62 124.47 45.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -68.07 158.22 33.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.117 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -119.1 -163.38 12.36 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.714 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.1 mt -120.28 137.1 54.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.651 0.263 . . . . 0.0 111.093 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG13 HD11 ' A' ' 51' ' ' ILE . 18.2 m -130.02 152.78 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.192 175.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HB3' HG12 ' A' ' 46' ' ' VAL . 38.7 ttmt -94.71 123.1 37.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.23 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 40' ' ' LEU . 47.5 t -124.98 110.34 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.82 -80.27 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.074 0.859 . . . . 0.0 111.349 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.96 5.54 1.97 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.25 160.55 22.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -101.87 113.08 25.96 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.431 ' CD1' ' HB ' ' A' ' 61' ' ' VAL . 67.2 m95 -104.69 163.34 12.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.235 -177.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 7.3 mpt_? -91.08 144.36 25.73 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 92' ' ' VAL . . . -143.99 140.22 29.5 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.109 0.48 . . . . 0.0 111.462 -174.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 159.72 22.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.294 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -159.79 172.8 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.05 -3.85 55.62 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.31 166.62 14.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.35 115.64 29.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.05 0.453 . . . . 0.0 110.397 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 80' ' ' VAL . 47.8 mt -105.48 126.27 51.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.397 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.44 165.46 12.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.483 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.6 t -73.54 116.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.401 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.69 -18.43 7.17 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.887 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -74.88 169.01 18.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.278 0.561 . . . . 0.0 111.575 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -121.47 135.18 55.06 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.556 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 74' ' ' LEU . 30.6 m -129.19 156.35 41.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.886 -177.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 m -113.05 137.59 51.19 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.186 175.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.43 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -80.16 114.74 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.238 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -76.68 -53.6 7.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.516 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -158.75 179.92 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.692 -175.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 87' ' ' GLY . 54.7 mt -117.6 132.45 67.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -107.66 12.8 27.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.0 111.104 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 85' ' ' ILE . . . 136.41 -113.94 1.11 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.06 -6.99 10.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.521 0.677 . . . . 0.0 109.858 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -116.68 160.09 21.25 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.8 mt -107.83 147.95 30.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.028 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.9 100.57 10.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.497 HG22 ' HB1' ' A' ' 68' ' ' ALA . 29.1 m -117.82 156.29 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.863 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -138.98 157.04 46.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG12 ' A' ' 80' ' ' VAL . 24.4 ttpp -69.74 143.08 53.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.292 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.88 147.25 5.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.462 0.476 . . . . 0.0 110.299 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.98 158.89 27.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.276 -172.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 128.58 36.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.6 -9.02 55.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -170.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -162.5 38.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.581 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 57.65 -107.72 1.12 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.46 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.708 176.723 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.58 70.4 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.069 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -89.49 94.67 9.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.7 p -81.32 79.47 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.037 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -108.15 129.54 55.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.322 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -155.76 123.82 5.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.902 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -112.62 146.35 38.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.145 0.497 . . . . 0.0 111.252 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -140.26 113.54 8.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -68.7 111.04 4.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.463 . . . . 0.0 110.892 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -67.39 133.78 50.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.543 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 p -55.23 127.66 30.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.798 0.333 . . . . 0.0 110.356 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -140.42 150.19 43.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.39 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.46 -147.76 19.06 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -152.31 93.51 1.81 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.775 0.322 . . . . 0.0 110.133 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -141.28 106.68 5.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 66.12 -168.14 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.9 mt -81.05 154.72 26.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -74.22 94.96 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.935 0.398 . . . . 0.0 111.27 -177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.71 94.46 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.519 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -89.03 -176.86 5.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.02 -165.59 38.17 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.258 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -91.43 139.79 30.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.769 0.319 . . . . 0.0 110.535 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.02 0.29 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.26 122.53 23.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.97 6.42 35.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.389 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.492 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -145.8 168.46 20.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.788 HG22 ' H ' ' A' ' 28' ' ' THR . 19.5 mm 63.36 -176.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -176.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.788 ' H ' HG22 ' A' ' 27' ' ' ILE . 11.2 m 74.98 -52.98 0.67 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.85 0.46 . . . . 0.0 111.537 177.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.56 89.19 0.18 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.147 -0.549 . . . . 0.0 111.826 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.14 153.09 55.33 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.474 0.178 . . . . 0.0 110.654 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.61 -4.63 15.22 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.99 2.46 . . . . 0.0 113.112 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -67.04 161.24 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.191 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -82.96 131.68 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.786 0.327 . . . . 0.0 110.813 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -119.07 -177.54 3.36 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 70.96 -173.38 0.17 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 124.091 0.869 . . . . 0.0 112.506 173.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.5 141.69 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.499 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -114.29 -177.81 3.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -92.11 6.68 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -170.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.651 ' NE ' ' HA ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -78.25 -9.12 59.08 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.417 178.602 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.4 mt -83.46 -16.55 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.519 . . . . 0.0 109.718 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.461 HD13 HG12 ' A' ' 82' ' ' VAL . 47.7 mm -76.17 124.3 34.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.25 57.6 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.632 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 43' ' ' ARG . 34.2 mtt180 -114.57 170.75 8.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 176.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 79' ' ' GLU . 27.3 ttmt -89.26 144.84 25.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.166 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.45 144.47 16.29 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.72 143.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 117.49 0.645 . . . . 0.0 110.577 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 59' ' ' VAL . 49.8 t -85.72 111.71 21.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.95 -176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 80.5 mtp -90.97 -37.59 13.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.286 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -123.63 140.85 52.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.689 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.29 116.97 3.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.691 0.619 . . . . 0.0 112.189 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 HD12 HD12 ' A' ' 74' ' ' LEU . 66.8 mt -85.67 139.88 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.569 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 p -150.98 162.58 26.44 Favored Pre-proline 0 C--N 1.322 -0.626 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.323 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.71 -16.19 49.63 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.62 2.213 . . . . 0.0 111.218 171.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -70.15 -48.62 56.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.992 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -163.77 166.65 21.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.745 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -63.93 154.56 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.842 -174.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.533 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -112.76 -174.62 19.3 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 93.5 mt -120.22 124.41 45.6 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.844 0.322 . . . . 0.0 110.605 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 47' ' ' VAL . 25.9 m -121.26 143.74 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.658 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 38.8 ttpt -94.39 114.31 26.33 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.5 81.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t70 72.95 -32.56 0.25 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.455 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.48 -54.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.1 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.35 164.82 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.564 -0.374 . . . . 0.0 111.055 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -98.05 138.33 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.292 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -132.75 165.18 25.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.495 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.537 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 6.5 mpt_? -79.7 145.73 32.8 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.45 140.73 39.38 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.129 0.49 . . . . 0.0 111.549 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.5 p -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.393 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 p -151.83 169.4 22.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.073 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.91 27.44 16.36 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.159 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.3 m -147.2 171.57 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 p -94.57 131.92 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD12 HD12 ' A' ' 51' ' ' ILE . 69.5 mt -121.86 144.0 49.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.954 -175.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -101.22 161.59 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.056 0.455 . . . . 0.0 111.279 -176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.5 t -70.84 128.85 34.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.752 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.06 -5.41 53.04 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.226 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -76.19 171.65 14.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.095 0.474 . . . . 0.0 111.147 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.525 ' HB3' ' HD3' ' A' ' 44' ' ' LYS . 33.7 mt-10 -124.34 132.54 53.55 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.614 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 29.0 m -123.65 153.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 111.583 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -100.45 126.79 46.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.621 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 92' ' ' VAL . 25.7 t -79.16 112.87 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.866 0.365 . . . . 0.0 110.192 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -95.95 -43.66 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.148 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -149.72 -179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.758 0.314 . . . . 0.0 111.517 -175.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.17 134.96 64.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.33 83.87 2.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.41 -110.72 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.758 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.21 0.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.882 0.848 . . . . 0.0 109.794 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . 40.5 mtmt -101.18 161.45 13.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.742 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.7 147.13 37.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.954 0.407 . . . . 0.0 109.961 174.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 60.8 t -97.53 112.67 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 82' ' ' VAL . 35.9 m -123.6 163.29 23.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.121 0.486 . . . . 0.0 111.792 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -131.68 159.19 39.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.51 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 62.6 tttm -86.76 137.12 32.69 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.857 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 10.3 mp -72.9 140.05 47.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 168.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -148.81 104.22 3.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.979 0.419 . . . . 0.0 111.275 -174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.86 -18.04 28.43 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 109.399 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -95.8 87.63 4.71 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.001 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -106.48 21.66 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 -177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.64 -171.67 21.26 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.473 178.657 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.19 110.27 3.96 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.472 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -79.33 140.79 37.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.433 . . . . 0.0 110.863 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -146.27 95.2 2.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.451 0.643 . . . . 0.0 109.628 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -127.82 101.1 6.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 -174.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.68 143.07 46.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.05 142.07 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.812 0.339 . . . . 0.0 111.367 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -153.38 123.9 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 175.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.97 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -96.79 87.68 4.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.742 -172.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.8 m -159.01 122.59 3.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.559 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -127.67 150.92 49.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.557 178.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.65 156.42 11.96 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.672 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -105.66 -86.33 0.47 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.021 0.41 . . . . 0.0 110.517 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 55.04 84.76 0.07 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.249 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -114.44 -172.62 2.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.343 175.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.95 113.88 20.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -73.21 106.77 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -88.08 139.4 30.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.154 -168.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HG2' ' H ' ' A' ' 22' ' ' HIS . 31.1 tt0 -158.03 139.65 13.75 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.15 171.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -25.34 75.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.868 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.482 ' H ' ' HG2' ' A' ' 20' ' ' GLN . 51.8 t-80 71.69 122.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.222 0.609 . . . . 0.0 110.62 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.0 ttm -60.36 132.54 54.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.4 156.89 30.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.789 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.86 152.8 18.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.116 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 5.4 mmp_? -113.89 162.38 16.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 pt -84.34 117.17 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.083 0.468 . . . . 0.0 110.449 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.7 p -91.01 -174.63 4.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.646 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' A' ' 31' ' ' PRO . . . -66.24 107.2 1.86 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.392 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.28 87.24 15.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.855 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.527 ' HD2' ' HE2' ' A' ' 33' ' ' LYS . 22.8 Cg_exo -65.64 179.55 1.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.585 2.19 . . . . 0.0 111.584 176.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m -61.31 -42.8 99.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HE2' ' HD2' ' A' ' 31' ' ' PRO . 74.3 mmtt 58.77 -164.58 0.2 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.157 0.503 . . . . 0.0 111.21 176.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.792 ' HE3' ' HA ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -115.02 85.57 2.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.601 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.29 122.95 27.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.205 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.31 130.57 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.59 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m -108.58 134.34 51.48 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -176.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -72.64 -14.96 61.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.418 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -76.09 -4.01 39.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 85' ' ' ILE . 96.7 mt -78.83 -13.51 59.76 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.2 mm -71.67 99.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.26 0.553 . . . . 0.0 110.148 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.25 2.85 26.25 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.195 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 43' ' ' ARG . 22.0 mmt180 -80.51 166.84 20.8 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 111.05 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' A' ' 44' ' ' LYS . 32.9 mtpt -85.89 167.06 15.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.027 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.64 138.73 5.66 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 173.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 13.4 p -102.89 143.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.02 107.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.939 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 90.1 mmm -87.8 -35.06 18.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.717 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.7 139.69 52.96 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.31 126.34 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.899 0.749 . . . . 0.0 112.036 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 74' ' ' LEU . 74.8 mt -87.17 123.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.678 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -133.37 161.15 65.53 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.854 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.14 -29.05 81.92 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.949 2.433 . . . . 0.0 112.091 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -86.41 -59.38 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.02 120.23 41.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.753 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 143.61 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.562 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -92.01 174.75 37.62 Favored Glycine 0 C--N 1.315 -0.638 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.277 -172.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -109.7 121.0 44.24 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 14.8 m -108.67 134.02 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.07 0.462 . . . . 0.0 110.178 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.92 107.77 20.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.337 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.4 108.95 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 62.76 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.9 -174.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.33 5.41 3.24 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.908 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -119.79 141.26 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -99.88 133.11 44.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.594 0.711 . . . . 0.0 111.085 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.09 165.1 14.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.268 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.577 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 3.2 mpt_? -93.23 143.98 25.73 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -130.95 140.1 50.12 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.124 0.488 . . . . 0.0 112.132 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -117.61 130.02 56.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.794 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -142.94 162.41 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.57 -20.93 49.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.111 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.73 150.43 22.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.484 0.183 . . . . 0.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 52.7 t -81.61 104.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.208 0.528 . . . . 0.0 109.691 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 51' ' ' ILE . 92.5 mt -95.19 132.12 40.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.009 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -83.41 162.45 21.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.339 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.25 122.5 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.86 -11.87 27.31 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.908 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.63 167.38 20.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.107 0.48 . . . . 0.0 111.362 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -123.88 141.17 52.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.213 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.15 176.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.158 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -130.89 140.75 50.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.123 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.4 t -81.42 121.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -176.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.64 -48.85 6.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.677 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.97 166.1 25.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 40' ' ' LEU . 45.0 mt -129.64 127.05 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -129.68 95.33 3.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.382 0.61 . . . . 0.0 111.034 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.18 -108.98 2.67 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.896 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.476 ' HB ' HH11 ' A' ' 67' ' ' ARG . 28.3 m -104.99 2.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -115.31 143.21 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.433 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.91 140.92 38.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.708 175.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.9 107.1 18.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -127.62 165.69 26.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -172.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.92 164.64 36.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.774 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.54 130.5 43.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.554 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.94 149.87 49.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.616 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.53 118.3 10.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.453 0.644 . . . . 0.0 111.213 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.53 126.8 41.07 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.407 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -84.94 55.01 3.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.642 0.734 . . . . 0.0 109.275 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 -44.64 6.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.759 -1.109 . . . . 0.0 108.954 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 131.29 -86.49 0.29 Allowed Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.424 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.263 178.073 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttp . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.063 0.459 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -125.53 -22.27 1.87 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -80.76 148.45 30.07 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 t -132.87 98.37 4.29 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -78.32 77.35 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 122.011 0.91 . . . . 0.0 109.749 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -140.55 51.83 1.65 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.126 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -85.51 115.28 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.248 -173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -117.34 -8.97 11.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.768 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -89.61 111.12 21.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.552 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -79.9 -75.51 0.25 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 p -100.66 89.41 3.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.535 0.683 . . . . 0.0 110.276 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 m -139.15 86.54 2.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.264 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.93 81.23 0.34 Allowed Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.435 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -82.83 82.24 8.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.204 0.526 . . . . 0.0 110.362 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.59 123.73 39.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.957 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -138.63 104.67 5.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.967 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 3.5 pp -85.5 162.83 18.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.975 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -85.92 147.98 25.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.097 0.475 . . . . 0.0 111.282 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -109.42 126.62 53.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.535 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -122.16 107.61 12.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.858 0.361 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.86 13.03 68.6 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -96.1 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.27 155.71 16.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.559 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.55 105.68 5.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.37 91.03 5.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.301 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -144.32 118.9 9.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.283 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.59 99.03 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.59 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 m -108.0 -51.43 2.9 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.089 0.471 . . . . 0.0 110.381 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.13 38.7 0.46 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -125.79 86.13 58.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.239 . . . . 0.0 110.509 -177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.48 152.64 49.18 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.539 2.159 . . . . 0.0 112.008 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 m -63.99 136.86 57.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.576 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -74.24 92.95 2.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.828 0.823 . . . . 0.0 111.043 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG2' ' H ' ' A' ' 35' ' ' ALA . 40.2 ttmt -153.4 173.04 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.711 -1.131 . . . . 0.0 107.97 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' H ' ' HG2' ' A' ' 34' ' ' LYS . . . 71.05 104.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.628 0.58 . . . . 0.0 111.612 178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.26 122.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.907 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.4 m -111.85 178.18 4.4 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.866 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.57 15.43 0.62 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' HA ' ' HE ' ' A' ' 39' ' ' ARG . 8.5 mmp_? -69.06 -14.53 63.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.079 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.62 -7.16 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 85' ' ' ILE . 49.4 mm -83.39 125.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.41 . . . . 0.0 111.176 -174.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.17 12.04 74.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.811 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -101.84 164.45 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 111.207 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 45' ' ' GLY . 5.8 tmmm? -87.17 144.83 26.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.225 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 44' ' ' LYS . . . -139.51 169.89 24.39 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 175.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -124.48 143.81 36.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.55 118.19 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.935 0.398 . . . . 0.0 111.032 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mmt -102.97 -23.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.1 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 10.3 tp10 -136.84 145.06 43.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.87 125.76 21.51 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.672 0.607 . . . . 0.0 112.049 -174.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HA3' ' A' ' 57' ' ' GLY . 71.0 mt -105.46 129.9 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.217 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.4 p -134.89 163.02 54.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.843 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.21 -22.21 72.51 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.622 2.215 . . . . 0.0 111.327 172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -83.08 -59.48 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.743 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -123.6 132.26 53.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.021 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.0 m -62.34 155.94 23.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.053 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ARG . . . -112.56 -157.33 13.19 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 80.1 mt -125.41 128.82 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.407 . . . . 0.0 110.828 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.42 144.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -93.19 107.01 18.9 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.0 t -98.38 103.89 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 68.15 -73.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.192 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -0.55 0.66 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.472 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -120.22 153.88 35.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.369 0.584 . . . . 0.0 110.728 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 m -102.24 125.84 49.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -127.1 156.84 41.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.763 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 4.4 mpt_? -72.47 143.18 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.63 142.64 30.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.157 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 m -120.33 164.0 16.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -162.23 178.9 8.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.09 -8.02 67.27 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.236 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -119.5 164.73 15.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.678 0.275 . . . . 0.0 110.72 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 21.6 t -92.75 95.39 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.182 0.515 . . . . 0.0 109.629 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 73.2 mt -86.45 129.81 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.904 -174.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.12 164.75 12.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.12 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.41 130.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.645 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.29 -10.53 39.59 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.893 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.03 164.28 25.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.513 0.673 . . . . 0.0 112.1 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -107.16 135.2 49.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.732 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.83 163.35 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.022 0.439 . . . . 0.0 111.307 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -124.31 133.26 53.51 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 92' ' ' VAL . 44.7 t -80.24 115.55 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.279 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.44 -53.91 7.08 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 41' ' ' ILE . . . -161.73 174.92 12.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 -174.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.504 HG13 HD11 ' A' ' 41' ' ' ILE . 61.0 mt -105.09 138.12 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.232 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -121.85 79.34 1.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.131 0.491 . . . . 0.0 109.942 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.95 -104.33 1.08 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.424 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 -4.41 9.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.575 0.702 . . . . 0.0 110.163 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -108.92 166.4 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.9 mt -119.82 151.37 38.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.5 t -106.84 112.49 40.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' VAL . 27.1 m -119.65 163.2 17.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.166 0.507 . . . . 0.0 111.834 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -110.68 176.65 4.95 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -93.85 122.63 36.53 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.5 tp -86.22 134.0 33.8 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.868 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -144.04 20.58 1.77 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.134 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 64.95 13.61 8.73 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.624 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.95 125.81 25.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.278 0.561 . . . . 0.0 111.48 -176.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -120.01 29.23 7.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.295 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.66 -75.69 0.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 C--O 1.249 1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 172.139 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.56 172.12 48.66 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.106 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -166.19 163.84 17.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -141.17 103.32 4.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.071 0.462 . . . . 0.0 109.937 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -92.31 81.97 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.72 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -103.96 127.33 51.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.159 -174.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -133.4 -154.7 0.62 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 72.09 79.25 0.15 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.292 0.567 . . . . 0.0 110.751 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.269 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -128.99 89.15 2.82 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.406 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 t 58.86 62.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.115 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -82.24 105.34 13.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.863 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.4 111.89 1.87 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.739 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.3 mmp_? -111.7 158.98 18.67 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 58.97 -165.9 0.18 Allowed 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.859 0.724 . . . . 0.0 110.79 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -123.57 96.78 5.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.075 0.464 . . . . 0.0 110.343 176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.8 mt -91.63 -179.32 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.424 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -81.89 78.4 8.6 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.567 0.698 . . . . 0.0 110.07 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -109.57 10.62 25.04 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -91.28 169.91 10.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.344 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.09 172.89 39.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.358 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -85.72 131.97 34.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.717 0.294 . . . . 0.0 110.483 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtt -99.41 142.28 31.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.248 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 70.18 135.89 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 O-C-N 124.234 0.958 . . . . 0.0 111.935 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.58 14.91 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -141.24 145.2 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.03 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.3 pt -80.28 63.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.126 0.489 . . . . 0.0 111.229 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 28' ' ' THR . 11.5 m 65.77 12.32 8.23 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.669 0.747 . . . . 0.0 111.016 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.66 -174.42 42.07 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.246 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.17 157.1 34.66 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.621 0.248 . . . . 0.0 110.439 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.77 -4.75 11.72 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 123.099 2.533 . . . . 0.0 112.751 175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.6 m 71.62 166.7 0.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.42 0.688 . . . . 0.0 111.27 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 13.3 mptt -80.18 122.81 27.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 0.0 111.187 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.71 88.27 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.96 33.06 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.311 -174.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.82 131.89 35.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 m -100.92 -12.78 18.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.003 -174.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.86 15.85 4.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -91.71 -5.26 53.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.995 0.426 . . . . 0.0 110.668 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 61' ' ' VAL . 40.4 mt -84.19 -20.61 32.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.481 HD13 HG12 ' A' ' 82' ' ' VAL . 48.8 mm -61.26 122.7 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.326 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.7 -15.51 58.39 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.898 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -102.54 176.31 5.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 111.357 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 37.4 ttmt -88.65 148.03 24.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.472 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 44' ' ' LYS . . . -131.99 155.9 21.69 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 171.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.46 142.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 117.322 0.561 . . . . 0.0 110.683 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.69 110.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 60' ' ' LYS . 83.3 mtp -94.11 -30.58 14.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB3' ' H ' ' A' ' 58' ' ' LEU . 8.8 tp10 -125.9 137.72 53.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.642 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.04 117.45 4.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.965 0.79 . . . . 0.0 112.212 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 74' ' ' LEU . 70.7 mt -81.2 104.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.408 176.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -108.4 155.19 40.8 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-O 120.841 0.353 . . . . 0.0 110.803 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 73' ' ' VAL . 35.5 Cg_exo -60.53 -22.32 71.68 Favored 'Trans proline' 0 CA--C 1.526 0.083 0 C-N-CA 122.964 2.443 . . . . 0.0 112.145 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -94.33 -27.86 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.547 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -146.98 131.45 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -63.03 153.76 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.089 0.471 . . . . 0.0 111.273 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -107.58 -179.94 22.15 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.304 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 49' ' ' GLU . 95.7 mt -117.43 126.27 52.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.712 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 m -120.32 142.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.348 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 54.7 tttp -101.99 114.55 28.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.275 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.515 HG12 HD22 ' A' ' 40' ' ' LEU . 2.4 t -132.57 143.02 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.49 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.731 0.644 . . . . 0.0 110.489 -174.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.25 7.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB2' ' NE1' ' A' ' 66' ' ' TRP . 68.1 mm-40 -113.56 164.96 12.98 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.664 0.269 . . . . 0.0 110.796 -176.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -109.95 109.72 20.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.421 0.629 . . . . 0.0 109.379 175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.473 ' NE1' ' HB2' ' A' ' 64' ' ' GLU . 79.8 m95 -104.22 155.93 18.32 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.383 -173.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.89 135.92 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.3 142.1 51.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.085 0.469 . . . . 0.0 111.573 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.4 p -131.14 148.12 52.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.873 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -152.37 175.89 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.64 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.69 24.14 30.87 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.959 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 73' ' ' VAL . 1.9 m -151.22 172.17 16.27 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.488 ' H ' HG22 ' A' ' 72' ' ' THR . 7.7 p -96.21 126.25 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.326 0.584 . . . . 0.0 110.742 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 51' ' ' ILE . 49.8 mt -117.1 133.79 55.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.77 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.18 -179.28 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.145 0.498 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.8 t -83.1 138.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.075 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.96 3.14 70.68 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.91 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.07 173.63 12.39 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.23 0.538 . . . . 0.0 110.759 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -131.77 143.41 50.2 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.34 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 94' ' ' LYS . 34.8 m -130.96 167.29 26.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.177 0.513 . . . . 0.0 111.765 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 m -110.26 126.27 54.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.256 173.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.571 ' HA ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -79.78 113.09 18.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.814 0.34 . . . . 0.0 110.316 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 25.3 mmtp -95.53 -46.34 6.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.959 -176.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.83 173.89 14.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.77 -174.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -117.76 132.76 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.576 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.49 104.59 6.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.52 -121.32 9.75 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.54 10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.202 0.525 . . . . 0.0 110.215 175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -113.84 151.6 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.389 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -89.52 143.1 27.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.166 0.508 . . . . 0.0 110.443 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -97.37 102.9 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 82' ' ' VAL . 26.8 m -122.25 165.4 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.343 0.592 . . . . 0.0 111.41 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.05 146.78 37.61 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.379 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 80' ' ' VAL . 27.5 ttpt -67.99 141.72 56.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.57 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.67 163.57 7.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.646 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.38 117.63 4.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.382 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -68.22 102.42 1.36 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -58.65 114.21 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.161 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.91 106.29 14.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.685 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.59 -172.19 13.08 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.985 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.848 178.621 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.681 0.277 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.99 105.43 1.1 Allowed Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 176.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -74.16 -45.71 46.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.854 0.359 . . . . 0.0 111.141 -176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -78.73 -24.51 44.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.137 0.494 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -155.59 96.89 1.81 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.298 0.57 . . . . 0.0 110.749 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -79.78 -29.52 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 178.91 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -118.88 63.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 172.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.3 m80 61.55 -84.78 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.216 -166.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.6 -99.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.233 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.8 t -176.91 153.92 1.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -80.28 102.63 9.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.08 -35.49 11.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.044 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -77.23 82.32 3.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.948 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -138.48 19.13 2.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.74 0.781 . . . . 0.0 109.436 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.18 97.46 4.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.894 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.32 20.77 14.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.743 -174.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -121.36 86.47 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 0.0 111.244 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -136.34 20.42 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.05 0.929 . . . . 0.0 108.494 170.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -76.98 109.02 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.116 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.16 111.46 3.49 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.652 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -143.14 96.21 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.07 0.462 . . . . 0.0 110.143 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.99 120.96 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.42 169.76 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.382 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.62 46.38 5.48 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.689 0.618 . . . . 0.0 111.011 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 24.0 tpt180 -145.94 124.88 12.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.996 178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.8 mt -96.04 114.74 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -98.28 134.61 41.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.988 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.67 -50.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.543 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -117.46 85.83 21.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.588 0.232 . . . . 0.0 110.504 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -95.27 162.18 1.59 Allowed 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.139 2.559 . . . . 0.0 112.867 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -76.72 -41.24 45.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.379 0.609 . . . . 0.0 109.966 175.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.59 151.0 25.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.935 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -57.15 140.15 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.097 0.475 . . . . 0.0 111.532 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.66 -173.41 2.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.716 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 HD21 ' A' ' 90' ' ' LEU . 8.3 p -96.62 -13.27 8.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.103 0.478 . . . . 0.0 110.507 179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.4 m 65.73 128.36 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.84 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.08 -4.41 47.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.262 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -70.14 -18.85 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.072 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.64 -21.22 62.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 85' ' ' ILE . 50.3 mm -69.17 118.42 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.373 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.51 6.39 56.49 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.284 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 43' ' ' ARG . 9.6 mmp_? -105.67 158.61 16.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.055 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -87.71 155.98 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.908 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.19 162.16 29.14 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 60' ' ' LYS . 9.9 p -112.53 143.65 21.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.6 t -87.51 116.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.064 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.4 mmt -100.61 -24.63 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB3' ' N ' ' A' ' 58' ' ' LEU . 10.1 tp10 -130.67 133.81 46.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 130.7 43.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.937 0.773 . . . . 0.0 112.055 -172.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 74' ' ' LEU . 55.9 mt -104.67 111.72 35.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.354 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 p -109.98 162.63 19.63 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.062 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.01 -20.96 56.16 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.828 2.352 . . . . 0.0 112.119 175.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -94.35 -60.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -113.72 144.27 43.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.442 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 44.3 m -74.86 174.23 9.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.5 ' HA3' HG12 ' A' ' 51' ' ' ILE . . . -131.85 -157.57 8.74 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 67' ' ' ARG . 95.9 mt -129.58 132.88 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.465 0.174 . . . . 0.0 110.549 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.91 147.59 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.044 0.45 . . . . 0.0 110.706 176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' GLU . 86.7 tttt -112.5 119.59 38.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.865 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.25 87.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 44.95 72.9 0.18 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.789 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.84 -47.99 1.65 Allowed Glycine 0 C--N 1.318 -0.428 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.936 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 25.1 mm-40 -78.75 134.17 37.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.668 0.234 . . . . 0.0 110.693 -174.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -118.65 112.0 19.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -114.11 157.25 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.752 -175.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.544 ' HB3' ' HG2' ' A' ' 89' ' ' LYS . 5.6 mpt_? -73.85 135.3 43.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -137.31 140.27 41.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.334 0.588 . . . . 0.0 112.072 -175.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.8 m -115.4 164.29 14.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.783 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.3 t -160.55 162.37 32.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.62 4.71 58.16 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 166.56 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.2 t -90.11 114.71 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HG11 ' A' ' 80' ' ' VAL . 49.7 mt -120.11 122.81 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.007 0.432 . . . . 0.0 110.983 -175.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.9 177.41 6.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.562 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.39 133.97 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.923 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.92 -4.51 61.14 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.127 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.22 171.66 14.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.197 0.522 . . . . 0.0 111.8 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -122.07 135.17 54.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.239 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD13 ' A' ' 74' ' ' LEU . 27.8 m -134.71 -176.43 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.375 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.6 m -138.46 141.76 39.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 92' ' ' VAL . 26.2 t -85.14 114.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.107 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -105.12 -28.87 10.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 91' ' ' VAL . . . -151.37 175.68 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.45 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.708 HG13 HD11 ' A' ' 41' ' ' ILE . 46.8 mt -128.91 139.13 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.066 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.17 98.88 3.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.05 0.453 . . . . 0.0 110.297 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 71.9 -119.3 7.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.043 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.48 1.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.589 0.709 . . . . 0.0 109.971 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.544 ' HG2' ' HB3' ' A' ' 67' ' ' ARG . 33.4 mtmm -112.52 157.42 21.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.924 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.466 HD21 HG21 ' A' ' 36' ' ' VAL . 96.0 mt -101.04 150.8 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.741 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 84' ' ' ALA . 58.6 t -101.14 102.6 13.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 82' ' ' VAL . 32.9 m -109.56 161.72 7.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -145.43 169.35 18.5 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -67.37 124.74 23.99 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.437 0.637 . . . . 0.0 110.196 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.2 145.27 47.75 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.704 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -78.49 95.76 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.73 0.776 . . . . 0.0 109.538 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -86.14 16.02 4.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.972 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.34 103.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.237 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.31 107.58 12.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.062 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 157.71 -148.7 18.56 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.066 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.468 178.975 . . . . . . . . 0 0 . 1 stop_ save_